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324579-90-0 molecular structure
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4-cyclopropyl-1,3-thiazol-2-amine

ChemBase ID: 26854
Molecular Formular: C6H8N2S
Molecular Mass: 140.20612
Monoisotopic Mass: 140.04081927
SMILES and InChIs

SMILES:
n1c(C2CC2)csc1N
Canonical SMILES:
Nc1scc(n1)C1CC1
InChI:
InChI=1S/C6H8N2S/c7-6-8-5(3-9-6)4-1-2-4/h3-4H,1-2H2,(H2,7,8)
InChIKey:
FGPNVCRMNYEMEP-UHFFFAOYSA-N

Cite this record

CBID:26854 http://www.chembase.cn/molecule-26854.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclopropyl-1,3-thiazol-2-amine
IUPAC Traditional name
4-cyclopropyl-1,3-thiazol-2-amine
Synonyms
4-Cyclopropyl-1,3-thiazol-2-amine
4-Cyclopropyl-1,3-thiazol-2-amine
2-Amino-4-cyclopropyl-1,3-thiazole
4-CYCLOPROPYL-2-THIAZOLAMINE
CAS Number
324579-90-0
MDL Number
MFCD01571854
PubChem SID
160990161
PubChem CID
674456

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.929804  H Acceptors
H Donor LogD (pH = 5.5) 1.3221402 
LogD (pH = 7.4) 1.397473  Log P 1.398529 
Molar Refractivity 37.4308 cm3 Polarizability 13.970615 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
76 - 78°C expand Show data source
Partition Coefficient
0.777 expand Show data source
Hydrophobicity(logP)
1.172 expand Show data source
Storage Warning
IRRITANT expand Show data source
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
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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