5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide

C15H10ClN3OS — CID 80617817

IUPAC5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1nnc(Cl)s1
InChIInChI=1S/C15H10ClN3OS/c16-15-19-18-14(21-15)13(20)17-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,17,20)
InChIKeyXJCNTIOUTGJGEH-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.11
Rot. Bonds3

About 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617817) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617817
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1nnc(Cl)s1
InChIInChI=1S/C15H10ClN3OS/c16-15-19-18-14(21-15)13(20)17-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,17,20)
InChIKeyXJCNTIOUTGJGEH-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

Analyze 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide 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

N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
5-chloro-N-[4-(propanoylamino)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624941
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619296
5-chloro-N-[4-(prop-2-enylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617648
5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107679572
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101
5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625452
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
CID 82812057
5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625354
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
5-chloro-N-(4-fluoro-3-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625004

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80617817) is 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XJCNTIOUTGJGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-15-19-18-14(21-15)13(20)17-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,17,20).
What are the key properties of 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide 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 5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).