4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine

C17H15ClN2S2 — CID 118713967

IUPAC4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCSc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1
InChIInChI=1S/C17H15ClN2S2/c1-11-16(12-3-5-13(18)6-4-12)20-17(22-11)19-14-7-9-15(21-2)10-8-14/h3-10H,1-2H3,(H,19,20)
InChIKeyQAILJTHFWNPERM-UHFFFAOYSA-N
MW346.91 g/mol
LogP6.24
Rot. Bonds4

About 4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine (PubChem CID 118713967) has the molecular formula C17H15ClN2S2 and a molecular weight of 346.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
PubChem CID118713967
Molecular FormulaC17H15ClN2S2
Molecular Weight346.91 g/mol
Exact Mass346.04
IUPAC Name4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCSc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1
InChIInChI=1S/C17H15ClN2S2/c1-11-16(12-3-5-13(18)6-4-12)20-17(22-11)19-14-7-9-15(21-2)10-8-14/h3-10H,1-2H3,(H,19,20)
InChIKeyQAILJTHFWNPERM-UHFFFAOYSA-N
XLogP6.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.91
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050
4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
CID 17389451
4-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 53387372
4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 23882311
4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123462406
N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
methyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 115423111
4-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol
CID 93206365
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126054464
methyl 4-[[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 126050772

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine (CID 118713967) is 4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine is CSc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QAILJTHFWNPERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S2/c1-11-16(12-3-5-13(18)6-4-12)20-17(22-11)19-14-7-9-15(21-2)10-8-14/h3-10H,1-2H3,(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine has a molecular weight of 346.91 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 118713967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).