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

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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).