N-benzyl-5-phenylthiadiazole-4-carboxamide

C16H13N3OS — CID 71688687

IUPACN-benzyl-5-phenylthiadiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1nnsc1-c1ccccc1
InChIInChI=1S/C16H13N3OS/c20-16(17-11-12-7-3-1-4-8-12)14-15(21-19-18-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,20)
InChIKeyXNKPDHQEUKQAGR-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.14
Rot. Bonds4

About N-benzyl-5-phenylthiadiazole-4-carboxamide

N-benzyl-5-phenylthiadiazole-4-carboxamide (PubChem CID 71688687) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-benzyl-5-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-phenylthiadiazole-4-carboxamide
PubChem CID71688687
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-benzyl-5-phenylthiadiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1nnsc1-c1ccccc1
InChIInChI=1S/C16H13N3OS/c20-16(17-11-12-7-3-1-4-8-12)14-15(21-19-18-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,20)
InChIKeyXNKPDHQEUKQAGR-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide
CID 56731044
N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide
CID 71688668
N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide
CID 71688676
benzene;benzylurea;hydrazine
CID 68793593
N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751617
N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide
CID 71688702
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide
CID 35763898
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
5-amino-N-benzyl-1-methyltriazole-4-carboxamide
CID 1499694

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-benzyl-5-phenylthiadiazole-4-carboxamide (CID 71688687) is N-benzyl-5-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-phenylthiadiazole-4-carboxamide is O=C(NCc1ccccc1)c1nnsc1-c1ccccc1.
What is the InChIKey of N-benzyl-5-phenylthiadiazole-4-carboxamide?
The InChIKey is XNKPDHQEUKQAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-16(17-11-12-7-3-1-4-8-12)14-15(21-19-18-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,20).
What are the key properties of N-benzyl-5-phenylthiadiazole-4-carboxamide?
N-benzyl-5-phenylthiadiazole-4-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 71688687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).