5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C15H10ClN3O2S — CID 30588982

IUPAC5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H10ClN3O2S/c16-10-6-7-12(20)11(8-10)13(21)17-15-19-18-14(22-15)9-4-2-1-3-5-9/h1-8,20H,(H,17,19,21)
InChIKeyNQSYWJZBDWNFFT-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.82
Rot. Bonds3

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

5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 30588982) has the molecular formula C15H10ClN3O2S and a molecular weight of 331.78 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID30588982
Molecular FormulaC15H10ClN3O2S
Molecular Weight331.78 g/mol
Exact Mass331.02
IUPAC Name5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H10ClN3O2S/c16-10-6-7-12(20)11(8-10)13(21)17-15-19-18-14(22-15)9-4-2-1-3-5-9/h1-8,20H,(H,17,19,21)
InChIKeyNQSYWJZBDWNFFT-UHFFFAOYSA-N
XLogP3.82
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 30588982) is 5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is NQSYWJZBDWNFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2S/c16-10-6-7-12(20)11(8-10)13(21)17-15-19-18-14(22-15)9-4-2-1-3-5-9/h1-8,20H,(H,17,19,21).
What are the key properties of 5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 331.78 g/mol, XLogP of 3.82, 3 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-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 30588982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).