2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide

C9H7N3O2S — CID 12025379

IUPAC2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1n[nH]c(=O)s1
InChIInChI=1S/C9H7N3O2S/c13-7(8-11-12-9(14)15-8)10-6-4-2-1-3-5-6/h1-5H,(H,10,13)(H,12,14)
InChIKeyZBWXUWRIQMSNHP-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.08
Rot. Bonds2

About 2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide

2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide (PubChem CID 12025379) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide
PubChem CID12025379
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1n[nH]c(=O)s1
InChIInChI=1S/C9H7N3O2S/c13-7(8-11-12-9(14)15-8)10-6-4-2-1-3-5-6/h1-5H,(H,10,13)(H,12,14)
InChIKeyZBWXUWRIQMSNHP-UHFFFAOYSA-N
XLogP1.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353949
[2-(phenylcarbamoyl)-1,3-thiazol-4-yl]boronic acid
CID 69337288
1-phenyl-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
CID 10658473
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide
CID 151260431
5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617817
N-phenyl-2H-oxadiazine-4-carboxamide
CID 23223803
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-phenylpyridazine-3-carboxamide
CID 23633015

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide?
The IUPAC name of 2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide (CID 12025379) is 2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide?
The canonical SMILES for 2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide is O=C(Nc1ccccc1)c1n[nH]c(=O)s1.
What is the InChIKey of 2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide?
The InChIKey is ZBWXUWRIQMSNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-7(8-11-12-9(14)15-8)10-6-4-2-1-3-5-6/h1-5H,(H,10,13)(H,12,14).
What are the key properties of 2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide?
2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide has a molecular weight of 221.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 12025379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).