N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C15H10F3N3O2S — CID 70723231

IUPACN-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccno1)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)10-3-1-9(2-4-10)14-21-12(8-24-14)13(22)19-7-11-5-6-20-23-11/h1-6,8H,7H2,(H,19,22)
InChIKeyQNRCSTMYHACXKL-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.75
Rot. Bonds4

About N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 70723231) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID70723231
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccno1)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)10-3-1-9(2-4-10)14-21-12(8-24-14)13(22)19-7-11-5-6-20-23-11/h1-6,8H,7H2,(H,19,22)
InChIKeyQNRCSTMYHACXKL-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 6465157
5-{4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl}isoxazole
CID 2742520
4-(2-Isoxazol-5-yl-1,3-thiazol-4-yl)benzonitrile
CID 2742518
5-[4-(3-Fluorophenyl)-1,3-thiazol-2-yl]isoxazole
CID 2742521
5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 6470972
N-(2,4-diphenyl-1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide
CID 16116066
5-[4-(2,4-Dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742514
5-[4-(4-Methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742515
(6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl)(2-phenylthiazol-4-yl)methanone
CID 86265126
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 117089663
5-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742511
2-Methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 3862776

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 70723231) is N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccno1)c1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QNRCSTMYHACXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c16-15(17,18)10-3-1-9(2-4-10)14-21-12(8-24-14)13(22)19-7-11-5-6-20-23-11/h1-6,8H,7H2,(H,19,22).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70723231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).