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

C17H15ClN2S — CID 141101949

IUPAC4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2sc(N)nc2-c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2S/c1-10-3-6-12(7-4-10)16-15(20-17(19)21-16)13-8-5-11(2)14(18)9-13/h3-9H,1-2H3,(H2,19,20)
InChIKeyAWEPWRRZPFKVLI-UHFFFAOYSA-N
MW314.84 g/mol
LogP5.33
Rot. Bonds2

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

4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 141101949) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID141101949
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2sc(N)nc2-c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2S/c1-10-3-6-12(7-4-10)16-15(20-17(19)21-16)13-8-5-11(2)14(18)9-13/h3-9H,1-2H3,(H2,19,20)
InChIKeyAWEPWRRZPFKVLI-UHFFFAOYSA-N
XLogP5.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.84
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2806464
4-(4-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 11184721
4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 141384892
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
CID 134095812
2-amino-4-(4-methyl-3-nitrophenyl)-1,3-thiazole-5-carboxylic acid
CID 82225715
5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 167489856
4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 842777
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
3-amino-5-(3-chloro-4-methylphenyl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83035171
CID 176575383
CID 176575383
5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 122510821

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine (CID 141101949) is 4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2sc(N)nc2-c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is AWEPWRRZPFKVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c1-10-3-6-12(7-4-10)16-15(20-17(19)21-16)13-8-5-11(2)14(18)9-13/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine?
4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 314.84 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 141101949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).