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

C9H6ClN3OS — CID 685127

IUPAC4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(Cl)cc1
InChIInChI=1S/C9H6ClN3OS/c10-7-3-1-6(2-4-7)8(14)12-9-13-11-5-15-9/h1-5H,(H,12,13,14)
InChIKeyYBADEBGCUDYUSK-UHFFFAOYSA-N
MW239.69 g/mol
LogP2.44
Rot. Bonds2

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

4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 685127) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is 4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID685127
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC Name4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(Cl)cc1
InChIInChI=1S/C9H6ClN3OS/c10-7-3-1-6(2-4-7)8(14)12-9-13-11-5-15-9/h1-5H,(H,12,13,14)
InChIKeyYBADEBGCUDYUSK-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3,4-Thiadiazol-2-yl)benzamide
CID 569548
2,5-dichloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 936202
4-chloro-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
CID 3320545
N-(5-(3-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 4390766
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 5157299
N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 7946867
N-(5-(3-chlorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 44454498
2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 838740
4-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 753766
3-Chloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 956334
2-Methyl-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 1147600
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4420955

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 685127) is 4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YBADEBGCUDYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-7-3-1-6(2-4-7)8(14)12-9-13-11-5-15-9/h1-5H,(H,12,13,14).
What are the key properties of 4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 239.69 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 685127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).