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165735-95-5 molecular structure
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(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine

ChemBase ID: 75954
Molecular Formular: C11H12N2S
Molecular Mass: 204.29138
Monoisotopic Mass: 204.07211939
SMILES and InChIs

SMILES:
s1c(c(nc1c1ccccc1)C)CN
Canonical SMILES:
NCc1sc(nc1C)c1ccccc1
InChI:
InChI=1S/C11H12N2S/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3
InChIKey:
SBCPMNJUNGLHNL-UHFFFAOYSA-N

Cite this record

CBID:75954 http://www.chembase.cn/molecule-75954.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
IUPAC Traditional name
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
Synonyms
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
(4-Methyl-2-phenyl-1,3-thiazol-5-yl)methylamine
5-(Aminomethyl)-4-methyl-2-phenyl-1,3-thiazole 97%
CAS Number
165735-95-5
MDL Number
MFCD05865105
PubChem SID
162040872
PubChem CID
2795495

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2795495 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.71684474  LogD (pH = 7.4) 0.8289204 
Log P 2.046387  Molar Refractivity 69.217 cm3
Polarizability 23.51455 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)
Hydrophobicity(logP)
1.985 expand Show data source
Storage Warning
Corrosive 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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