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73040-54-7 molecular structure
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5-(4-methylphenyl)-1,3-thiazol-2-amine

ChemBase ID: 290466
Molecular Formular: C10H10N2S
Molecular Mass: 190.2648
Monoisotopic Mass: 190.05646933
SMILES and InChIs

SMILES:
Nc1ncc(c2ccc(C)cc2)s1
Canonical SMILES:
Cc1ccc(cc1)c1cnc(s1)N
InChI:
InChI=1S/C10H10N2S/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-6H,1H3,(H2,11,12)
InChIKey:
BHSKUJCHFMAMKF-UHFFFAOYSA-N

Cite this record

CBID:290466 http://www.chembase.cn/molecule-290466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-methylphenyl)-1,3-thiazol-2-amine
IUPAC Traditional name
5-(4-methylphenyl)-1,3-thiazol-2-amine
Synonyms
5-(P-tolyl)thiazol-2-amine
CAS Number
73040-54-7
PubChem SID
180675997
PubChem CID
960760

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229590 Please log in.
Data Source Data ID
PubChem 960760 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.17814  H Acceptors
H Donor LogD (pH = 5.5) 2.5544195 
LogD (pH = 7.4) 2.6434267  Log P 2.6447155 
Molar Refractivity 55.4016 cm3 Polarizability 21.96234 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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