5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C17H12ClF3N2S — CID 122174355

IUPAC5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C17H12ClF3N2S/c1-10-2-8-13(9-3-10)22-16-23-15(17(19,20)21)14(24-16)11-4-6-12(18)7-5-11/h2-9H,1H3,(H,22,23)
InChIKeyIMNNVWJZXVUOGZ-UHFFFAOYSA-N
MW368.81 g/mol
LogP6.53
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 122174355) has the molecular formula C17H12ClF3N2S and a molecular weight of 368.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID122174355
Molecular FormulaC17H12ClF3N2S
Molecular Weight368.81 g/mol
Exact Mass368.04
IUPAC Name5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C17H12ClF3N2S/c1-10-2-8-13(9-3-10)22-16-23-15(17(19,20)21)14(24-16)11-4-6-12(18)7-5-11/h2-9H,1H3,(H,22,23)
InChIKeyIMNNVWJZXVUOGZ-UHFFFAOYSA-N
XLogP6.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.81
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-(4-chlorophenyl)-5-methylthiazole
CID 667574
N1-(4-(4-chlorophenyl)thiazol-2-yl)benzene-1,4-diamine
CID 672872
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
N-[4-(4-Chlorophenyl)-1,3-thiazol-2-YL]-N-phenylamine
CID 2806778
N-aryl-4-aryl-1,3-thiazole-2-amine, 29
CID 18522047
N-(4-(4-Chlorophenyl)-2-thiazolyl)-N'-phenylurea
CID 897193
1-(4-Chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 750426
N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine
CID 6710858
(5-{[(4-Chloro-benzyl)-(3,3,3-trifluoro-propyl)-amino]-methyl}-4-trifluoromethyl-thiazol-2-yl)-(2,4,6-trichloro-phenyl)-amine
CID 9960282
{5-[(Benzyl-ethyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-(2,4,6-trichloro-phenyl)-amine
CID 10117501
(5-{[(4-Fluoro-benzyl)-propyl-amino]-methyl}-4-trifluoromethyl-thiazol-2-yl)-(2,4,6-trichloro-phenyl)-amine
CID 10119101
(5-{[Benzyl-(2,2,2-trifluoro-ethyl)-amino]-methyl}-4-trifluoromethyl-thiazol-2-yl)-(2,4,6-trichloro-phenyl)-amine
CID 10166079

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 122174355) is 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is IMNNVWJZXVUOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2S/c1-10-2-8-13(9-3-10)22-16-23-15(17(19,20)21)14(24-16)11-4-6-12(18)7-5-11/h2-9H,1H3,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 368.81 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122174355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).