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

C19H19ClN2S — CID 126047012

IUPACN-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2C)c(C)c1
InChIInChI=1S/C19H19ClN2S/c1-11-5-8-16(13(3)9-11)18-14(4)23-19(22-18)21-15-7-6-12(2)17(20)10-15/h5-10H,1-4H3,(H,21,22)
InChIKeyGWDBWBOFUHSZLI-UHFFFAOYSA-N
MW342.90 g/mol
LogP6.44
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 126047012) has the molecular formula C19H19ClN2S and a molecular weight of 342.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID126047012
Molecular FormulaC19H19ClN2S
Molecular Weight342.90 g/mol
Exact Mass342.10
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2C)c(C)c1
InChIInChI=1S/C19H19ClN2S/c1-11-5-8-16(13(3)9-11)18-14(4)23-19(22-18)21-15-7-6-12(2)17(20)10-15/h5-10H,1-4H3,(H,21,22)
InChIKeyGWDBWBOFUHSZLI-UHFFFAOYSA-N
XLogP6.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.90
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126050335
N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055034
1-N,3-N-bis[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 11296283
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050
2-[2-(3-chloro-4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1001993
4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 8963113
4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152094
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 1228580
1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17143902
5-(3-chloro-4-methylanilino)-3H-1,3,4-thiadiazole-2-thione
CID 7131482

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (CID 126047012) is N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is Cc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2C)c(C)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is GWDBWBOFUHSZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2S/c1-11-5-8-16(13(3)9-11)18-14(4)23-19(22-18)21-15-7-6-12(2)17(20)10-15/h5-10H,1-4H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 342.90 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126047012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).