4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide

C19H13ClF3N3O2S — CID 18567938

IUPAC4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13ClF3N3O2S/c20-13-5-1-11(2-6-13)17(28)26-18-25-15(10-29-18)9-16(27)24-14-7-3-12(4-8-14)19(21,22)23/h1-8,10H,9H2,(H,24,27)(H,25,26,28)
InChIKeyWQJMDLYCFFQYCY-UHFFFAOYSA-N
MW439.85 g/mol
LogP5.25
Rot. Bonds5

About 4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18567938) has the molecular formula C19H13ClF3N3O2S and a molecular weight of 439.85 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18567938
Molecular FormulaC19H13ClF3N3O2S
Molecular Weight439.85 g/mol
Exact Mass439.04
IUPAC Name4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13ClF3N3O2S/c20-13-5-1-11(2-6-13)17(28)26-18-25-15(10-29-18)9-16(27)24-14-7-3-12(4-8-14)19(21,22)23/h1-8,10H,9H2,(H,24,27)(H,25,26,28)
InChIKeyWQJMDLYCFFQYCY-UHFFFAOYSA-N
XLogP5.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.85
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
4-chloro-N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230136
N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 39192369
N-[4-[2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 27443185
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
4-chloro-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567945
4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41213345
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
4-chloro-N-[4-[2-oxo-2-(2-phenylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213333
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide (CID 18567938) is 4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is WQJMDLYCFFQYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2S/c20-13-5-1-11(2-6-13)17(28)26-18-25-15(10-29-18)9-16(27)24-14-7-3-12(4-8-14)19(21,22)23/h1-8,10H,9H2,(H,24,27)(H,25,26,28).
What are the key properties of 4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 439.85 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18567938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).