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

C15H10ClN3OS — CID 2241547

IUPAC4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3OS/c16-12-8-6-11(7-9-12)14(20)18-15-17-13(19-21-15)10-4-2-1-3-5-10/h1-9H,(H,17,18,19,20)
InChIKeyZWTDQYDEOKABAQ-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.11
Rot. Bonds3

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

4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 2241547) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID2241547
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3OS/c16-12-8-6-11(7-9-12)14(20)18-15-17-13(19-21-15)10-4-2-1-3-5-10/h1-9H,(H,17,18,19,20)
InChIKeyZWTDQYDEOKABAQ-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-benzamide
CID 2241548
2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 2107779
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 944669
2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 2134766
[3-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone
CID 828532
N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 852341
4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2241546
1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide
CID 4219965
4-chloro-N-(3-phenyl-1H-1,2,4-triazol-5-yl)benzamide
CID 17500622
4-fluoro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241556
4-Iodo-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benzamide
CID 10501538
Cyclohexanecarboxylic acid (3-phenyl-[1,2,4]thiadiazol-5-yl)-amide
CID 10637031

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (CID 2241547) is 4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is ZWTDQYDEOKABAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-12-8-6-11(7-9-12)14(20)18-15-17-13(19-21-15)10-4-2-1-3-5-10/h1-9H,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 315.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 2241547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).