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

C18H16Cl2N2S — CID 126048866

IUPACN-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2C)cc1C
InChIInChI=1S/C18H16Cl2N2S/c1-10-4-5-13(8-11(10)2)17-12(3)23-18(22-17)21-16-7-6-14(19)9-15(16)20/h4-9H,1-3H3,(H,21,22)
InChIKeyMYOLNICYOMZHEI-UHFFFAOYSA-N
MW363.31 g/mol
LogP6.79
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 126048866) has the molecular formula C18H16Cl2N2S and a molecular weight of 363.31 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID126048866
Molecular FormulaC18H16Cl2N2S
Molecular Weight363.31 g/mol
Exact Mass362.04
IUPAC NameN-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2C)cc1C
InChIInChI=1S/C18H16Cl2N2S/c1-10-4-5-13(8-11(10)2)17-12(3)23-18(22-17)21-16-7-6-14(19)9-15(16)20/h4-9H,1-3H3,(H,21,22)
InChIKeyMYOLNICYOMZHEI-UHFFFAOYSA-N
XLogP6.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.31
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
4-(3,4-dimethylphenyl)-5-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 126052604
N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126054464
N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 53338366
N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2368851
methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306591
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
2-(chloromethyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazole
CID 116867883
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-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126060767
methyl 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111716

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (CID 126048866) is N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is Cc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2C)cc1C.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is MYOLNICYOMZHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2S/c1-10-4-5-13(8-11(10)2)17-12(3)23-18(22-17)21-16-7-6-14(19)9-15(16)20/h4-9H,1-3H3,(H,21,22).
What are the key properties of N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 363.31 g/mol, XLogP of 6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126048866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).