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

C21H12F3N3OS — CID 108748572

IUPAC2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3cccnc3)n2)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C21H12F3N3OS/c22-16-7-6-15(18(23)19(16)24)20(28)26-14-5-1-3-12(9-14)17-11-29-21(27-17)13-4-2-8-25-10-13/h1-11H,(H,26,28)
InChIKeyCIUOVXUVCPZSME-UHFFFAOYSA-N
MW411.41 g/mol
LogP5.54
Rot. Bonds4

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

2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108748572) has the molecular formula C21H12F3N3OS and a molecular weight of 411.41 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108748572
Molecular FormulaC21H12F3N3OS
Molecular Weight411.41 g/mol
Exact Mass411.07
IUPAC Name2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3cccnc3)n2)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C21H12F3N3OS/c22-16-7-6-15(18(23)19(16)24)20(28)26-14-5-1-3-12(9-14)17-11-29-21(27-17)13-4-2-8-25-10-13/h1-11H,(H,26,28)
InChIKeyCIUOVXUVCPZSME-UHFFFAOYSA-N
XLogP5.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.41
LogP ≤ 55.54
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

N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide
CID 108770555
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3,4-trifluorobenzamide
CID 108748174
6-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108748545
4-(3,4-difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108770511
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46527452
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea
CID 108784263
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
CID 108748606

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108748572) is 2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide is O=C(Nc1cccc(-c2csc(-c3cccnc3)n2)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is CIUOVXUVCPZSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3OS/c22-16-7-6-15(18(23)19(16)24)20(28)26-14-5-1-3-12(9-14)17-11-29-21(27-17)13-4-2-8-25-10-13/h1-11H,(H,26,28).
What are the key properties of 2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide?
2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 411.41 g/mol, XLogP of 5.54, 4 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-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108748572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).