N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide

C13H9N3OS2 — CID 972595

IUPACN-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1cccs1
InChIInChI=1S/C13H9N3OS2/c17-12(10-7-4-8-18-10)15-13-14-11(16-19-13)9-5-2-1-3-6-9/h1-8H,(H,14,15,16,17)
InChIKeyCHDAFYOXKXUPTN-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.52
Rot. Bonds3

About N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide

N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide (PubChem CID 972595) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
PubChem CID972595
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1cccs1
InChIInChI=1S/C13H9N3OS2/c17-12(10-7-4-8-18-10)15-13-14-11(16-19-13)9-5-2-1-3-6-9/h1-8H,(H,14,15,16,17)
InChIKeyCHDAFYOXKXUPTN-UHFFFAOYSA-N
XLogP3.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-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-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 86942095
N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 17013680
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
N-(6-phenyl-2-pyridinyl)thiophene-2-carboxamide
CID 110482191
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 82342247
N-[1-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 86942096
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 47050295
1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide
CID 87010055
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
4-(cyclopropanecarbonylamino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 55819988
4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 86997275
N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide
CID 126189754

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide (CID 972595) is N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)c1cccs1.
What is the InChIKey of N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide?
The InChIKey is CHDAFYOXKXUPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c17-12(10-7-4-8-18-10)15-13-14-11(16-19-13)9-5-2-1-3-6-9/h1-8H,(H,14,15,16,17).
What are the key properties of N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide?
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 972595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).