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

C17H12F4N2S — CID 4691246

IUPAC5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C17H12F4N2S/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)
InChIKeySUHLABOPKSZPGN-UHFFFAOYSA-N
MW352.36 g/mol
LogP6.02
Rot. Bonds3

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

5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 4691246) has the molecular formula C17H12F4N2S and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID4691246
Molecular FormulaC17H12F4N2S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C17H12F4N2S/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)
InChIKeySUHLABOPKSZPGN-UHFFFAOYSA-N
XLogP6.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-aryl-4-aryl-1,3-thiazole-2-amine, 25
CID 972657
N-aryl-4-aryl-1,3-thiazole-2-amine, 32
CID 25101200
4-tert-butyl-N-o-tolylthiazol-2-amine
CID 44411322
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
5-(4-Aminophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622549
N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 640711
4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
CID 971435
4-(4-Fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 1284592
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
4-tert-butyl-N-(2-isopropylphenyl)thiazol-2-amine
CID 44411266
4-tert-butyl-N-m-tolylthiazol-2-amine
CID 44411325

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 4691246) is 5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is SUHLABOPKSZPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2S/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-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 352.36 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4691246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).