2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C18H11ClF3N3O2S — CID 23630085

IUPAC2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)Nc2cncs2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11ClF3N3O2S/c19-14-5-4-12(7-13(14)17(27)25-15-8-23-9-28-15)24-16(26)10-2-1-3-11(6-10)18(20,21)22/h1-9H,(H,24,26)(H,25,27)
InChIKeyHGRYIDVIIWMVOJ-UHFFFAOYSA-N
MW425.82 g/mol
LogP5.32
Rot. Bonds4

About 2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 23630085) has the molecular formula C18H11ClF3N3O2S and a molecular weight of 425.82 g/mol. Its IUPAC name is 2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID23630085
Molecular FormulaC18H11ClF3N3O2S
Molecular Weight425.82 g/mol
Exact Mass425.02
IUPAC Name2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)Nc2cncs2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11ClF3N3O2S/c19-14-5-4-12(7-13(14)17(27)25-15-8-23-9-28-15)24-16(26)10-2-1-3-11(6-10)18(20,21)22/h1-9H,(H,24,26)(H,25,27)
InChIKeyHGRYIDVIIWMVOJ-UHFFFAOYSA-N
XLogP5.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.82
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-5-[(3-chlorobenzoyl)amino]-n-1,3-thiazol-5-ylbenzamide
CID 23630121
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-1,3-thiazol-5-ylbenzamide
CID 23630122
2-Methyl-N-(2-methyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630124
2-Chloro-5-(3-chloro-benzoylamino)-N-(2-methyl-thiazol-5-yl)-benzamide
CID 23630125
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630126
2-Chloro-N-(2-methyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630127
2-chloro-5-{[3-fluoro-5-(trifluoromethyl)benzoyl]amino}-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630162
5-(3-Chloro-benzoylamino)-2-methyl-N-(2-methyl-thiazol-5-yl)-benzamide
CID 23630167
2-Chloro-N-(2-cyclopropyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 44562061
2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 44562058
2-Chloro-N-(2-isopropyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 44562059
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-isopropyl-1,3-thiazol-5-yl)benzamide
CID 44562060

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 23630085) is 2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is O=C(Nc1ccc(Cl)c(C(=O)Nc2cncs2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is HGRYIDVIIWMVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O2S/c19-14-5-4-12(7-13(14)17(27)25-15-8-23-9-28-15)24-16(26)10-2-1-3-11(6-10)18(20,21)22/h1-9H,(H,24,26)(H,25,27).
What are the key properties of 2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 425.82 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 23630085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).