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MFCD11592088 molecular structure
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1-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]piperazine

ChemBase ID: 270762
Molecular Formular: C11H13N3S2
Molecular Mass: 251.37102
Monoisotopic Mass: 251.05508943
SMILES and InChIs

SMILES:
c1(nc(c2sccc2)cs1)N1CCNCC1
Canonical SMILES:
N1CCN(CC1)c1scc(n1)c1cccs1
InChI:
InChI=1S/C11H13N3S2/c1-2-10(15-7-1)9-8-16-11(13-9)14-5-3-12-4-6-14/h1-2,7-8,12H,3-6H2
InChIKey:
DUZYSTIBPOZFHI-UHFFFAOYSA-N

Cite this record

CBID:270762 http://www.chembase.cn/molecule-270762.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]piperazine
IUPAC Traditional name
1-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]piperazine
Synonyms
1-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]piperazine
MDL Number
MFCD11592088
PubChem SID
164326672
PubChem CID
28296128

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69853 external link Add to cart Please log in.
Data Source Data ID
PubChem 28296128 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.20796569  LogD (pH = 7.4) 1.4057195 
Log P 2.6986277  Molar Refractivity 67.5778 cm3
Polarizability 27.012371 Å3 Polar Surface Area 28.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.512 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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