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24248-74-6 molecular structure
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6-acetyl-2-amino-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide

ChemBase ID: 35461
Molecular Formular: C10H13N3O2S
Molecular Mass: 239.29412
Monoisotopic Mass: 239.07284767
SMILES and InChIs

SMILES:
c1(c(sc2c1CCN(C2)C(=O)C)N)C(=O)N
Canonical SMILES:
CC(=O)N1CCc2c(C1)sc(c2C(=O)N)N
InChI:
InChI=1S/C10H13N3O2S/c1-5(14)13-3-2-6-7(4-13)16-10(12)8(6)9(11)15/h2-4,12H2,1H3,(H2,11,15)
InChIKey:
HVAWXSNOFJTABL-UHFFFAOYSA-N

Cite this record

CBID:35461 http://www.chembase.cn/molecule-35461.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-acetyl-2-amino-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide
IUPAC Traditional name
6-acetyl-2-amino-4H,5H,7H-thieno[2,3-c]pyridine-3-carboxamide
Synonyms
6-Acetyl-2-amino-4,5,6,7-tetrahydrothieno-[2,3-c]pyridine-3-carboxamide
6-acetyl-2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CAS Number
24248-74-6
MDL Number
MFCD09743162
PubChem SID
160998768
PubChem CID
25219685

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25219685 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.892272  H Acceptors
H Donor LogD (pH = 5.5) -0.067983136 
LogD (pH = 7.4) -0.06798288  Log P -0.06798289 
Molar Refractivity 62.0101 cm3 Polarizability 22.749002 Å3
Polar Surface Area 89.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
-0.79 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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