N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide

C15H9Cl2N3OS — CID 2767937

IUPACN-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1snnc1-c1ccccc1
InChIInChI=1S/C15H9Cl2N3OS/c16-10-6-11(17)8-12(7-10)18-15(21)14-13(19-20-22-14)9-4-2-1-3-5-9/h1-8H,(H,18,21)
InChIKeyKBJLEVFQQSVKEO-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.76
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide

N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide (PubChem CID 2767937) has the molecular formula C15H9Cl2N3OS and a molecular weight of 350.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide
PubChem CID2767937
Molecular FormulaC15H9Cl2N3OS
Molecular Weight350.23 g/mol
Exact Mass348.98
IUPAC NameN-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1snnc1-c1ccccc1
InChIInChI=1S/C15H9Cl2N3OS/c16-10-6-11(17)8-12(7-10)18-15(21)14-13(19-20-22-14)9-4-2-1-3-5-9/h1-8H,(H,18,21)
InChIKeyKBJLEVFQQSVKEO-UHFFFAOYSA-N
XLogP4.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
N-(2-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745439
N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745447
N-[4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]phenyl]-4-phenylthiadiazole-5-carboxamide
CID 141023427
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-(3-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751917
N-(4-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751925
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752070
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide
CID 100750933
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide (CID 2767937) is N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1snnc1-c1ccccc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide?
The InChIKey is KBJLEVFQQSVKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3OS/c16-10-6-11(17)8-12(7-10)18-15(21)14-13(19-20-22-14)9-4-2-1-3-5-9/h1-8H,(H,18,21).
What are the key properties of N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide?
N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide has a molecular weight of 350.23 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 2767937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).