5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

C10H5ClF3N3O2S — CID 3440372

IUPAC5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc(Cl)ccc1O
InChIInChI=1S/C10H5ClF3N3O2S/c11-4-1-2-6(18)5(3-4)7(19)15-9-17-16-8(20-9)10(12,13)14/h1-3,18H,(H,15,17,19)
InChIKeyHGJPTXAJXKIBEY-UHFFFAOYSA-N
MW323.68 g/mol
LogP3.17
Rot. Bonds2

About 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3440372) has the molecular formula C10H5ClF3N3O2S and a molecular weight of 323.68 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3440372
Molecular FormulaC10H5ClF3N3O2S
Molecular Weight323.68 g/mol
Exact Mass322.97
IUPAC Name5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc(Cl)ccc1O
InChIInChI=1S/C10H5ClF3N3O2S/c11-4-1-2-6(18)5(3-4)7(19)15-9-17-16-8(20-9)10(12,13)14/h1-3,18H,(H,15,17,19)
InChIKeyHGJPTXAJXKIBEY-UHFFFAOYSA-N
XLogP3.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.68
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1121149
Fak-IN-8
CID 60150400
5-Chloro-N-(5-ethoxymethyl-[1,3,4]thiadiazol-2-yl)-2-methoxy-benzamide
CID 3158224
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70681230
2-Hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 578064
5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750669
5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 30588982
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70683314
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70695939
5-chloro-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 12962781
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
CID 2914804
5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 800026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3440372) is 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)(F)F)s1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is HGJPTXAJXKIBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3O2S/c11-4-1-2-6(18)5(3-4)7(19)15-9-17-16-8(20-9)10(12,13)14/h1-3,18H,(H,15,17,19).
What are the key properties of 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 323.68 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3440372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).