2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C15H8F3N3OS — CID 108744422

IUPAC2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H8F3N3OS/c16-9-5-4-8(12(17)13(9)18)14(22)21-15-20-11(7-23-15)10-3-1-2-6-19-10/h1-7H,(H,20,21,22)
InChIKeyROFQJZNYFQEXNB-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.87
Rot. Bonds3

About 2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 108744422) has the molecular formula C15H8F3N3OS and a molecular weight of 335.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID108744422
Molecular FormulaC15H8F3N3OS
Molecular Weight335.31 g/mol
Exact Mass335.03
IUPAC Name2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H8F3N3OS/c16-9-5-4-8(12(17)13(9)18)14(22)21-15-20-11(7-23-15)10-3-1-2-6-19-10/h1-7H,(H,20,21,22)
InChIKeyROFQJZNYFQEXNB-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 17427879
2-[(2,3,4-trifluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858330
5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 78835415
2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4826312
5-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2354167
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
6-methoxy-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 33076097
4-methoxy-1-methyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 91813993
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 108744422) is 2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ROFQJZNYFQEXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3OS/c16-9-5-4-8(12(17)13(9)18)14(22)21-15-20-11(7-23-15)10-3-1-2-6-19-10/h1-7H,(H,20,21,22).
What are the key properties of 2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 335.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 108744422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).