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

C18H17ClN2S — CID 126050335

IUPACN-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2C)c(C)c1
InChIInChI=1S/C18H17ClN2S/c1-11-7-8-16(12(2)9-11)17-13(3)22-18(21-17)20-15-6-4-5-14(19)10-15/h4-10H,1-3H3,(H,20,21)
InChIKeyBIXKMSWETIHXJO-UHFFFAOYSA-N
MW328.87 g/mol
LogP6.13
Rot. Bonds3

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

N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 126050335) has the molecular formula C18H17ClN2S and a molecular weight of 328.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID126050335
Molecular FormulaC18H17ClN2S
Molecular Weight328.87 g/mol
Exact Mass328.08
IUPAC NameN-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2C)c(C)c1
InChIInChI=1S/C18H17ClN2S/c1-11-7-8-16(12(2)9-11)17-13(3)22-18(21-17)20-15-6-4-5-14(19)10-15/h4-10H,1-3H3,(H,20,21)
InChIKeyBIXKMSWETIHXJO-UHFFFAOYSA-N
XLogP6.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.87
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126047012
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
1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 1185920
N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050
6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19148355
4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 8963113
4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264902
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
(1S,6R)-6-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7310036
2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 100950880

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (CID 126050335) is N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is Cc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2C)c(C)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is BIXKMSWETIHXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2S/c1-11-7-8-16(12(2)9-11)17-13(3)22-18(21-17)20-15-6-4-5-14(19)10-15/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 328.87 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126050335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).