N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C12H15ClN2S — CID 107637550

IUPACN-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)c(NC2=NC(C)(C)CS2)c1
InChIInChI=1S/C12H15ClN2S/c1-8-4-5-9(13)10(6-8)14-11-15-12(2,3)7-16-11/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyWNRLVBIDPBKLKU-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.94
Rot. Bonds1

About N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 107637550) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID107637550
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC NameN-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)c(NC2=NC(C)(C)CS2)c1
InChIInChI=1S/C12H15ClN2S/c1-8-4-5-9(13)10(6-8)14-11-15-12(2,3)7-16-11/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyWNRLVBIDPBKLKU-UHFFFAOYSA-N
XLogP3.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439978
N-(2-chloro-4-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62525170
5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine
CID 65475497
N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550701
4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine
CID 43439652
N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2363426
N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 616412
N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 83087402
N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43555941
N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114211113
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
N-(2,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43382052

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 107637550) is N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is Cc1ccc(Cl)c(NC2=NC(C)(C)CS2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is WNRLVBIDPBKLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-8-4-5-9(13)10(6-8)14-11-15-12(2,3)7-16-11/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 254.79 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 107637550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).