N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C18H15F3N2S — CID 3120290

IUPACN-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c1C
InChIInChI=1S/C18H15F3N2S/c1-11-7-6-10-14(12(11)2)22-17-23-16(18(19,20)21)15(24-17)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,22,23)
InChIKeyCCGMKERPSZKAGQ-UHFFFAOYSA-N
MW348.39 g/mol
LogP6.19
Rot. Bonds3

About N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 3120290) has the molecular formula C18H15F3N2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID3120290
Molecular FormulaC18H15F3N2S
Molecular Weight348.39 g/mol
Exact Mass348.09
IUPAC NameN-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c1C
InChIInChI=1S/C18H15F3N2S/c1-11-7-6-10-14(12(11)2)22-17-23-16(18(19,20)21)15(24-17)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,22,23)
InChIKeyCCGMKERPSZKAGQ-UHFFFAOYSA-N
XLogP6.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.39
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 3120290) is N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is CCGMKERPSZKAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2S/c1-11-7-6-10-14(12(11)2)22-17-23-16(18(19,20)21)15(24-17)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 348.39 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3120290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).