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

C10H11N3OS2 — CID 809020

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C10H11N3OS2/c1-6(2)9-12-13-10(16-9)11-8(14)7-4-3-5-15-7/h3-6H,1-2H3,(H,11,13,14)
InChIKeyQHUNHMHRRXNTLK-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.98
Rot. Bonds3

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

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 809020) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID809020
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C10H11N3OS2/c1-6(2)9-12-13-10(16-9)11-8(14)7-4-3-5-15-7/h3-6H,1-2H3,(H,11,13,14)
InChIKeyQHUNHMHRRXNTLK-UHFFFAOYSA-N
XLogP2.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-propan-2-yl-1,3,4-thiadiazol-2-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

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 809020) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CC(C)c1nnc(NC(=O)c2cccs2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is QHUNHMHRRXNTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-6(2)9-12-13-10(16-9)11-8(14)7-4-3-5-15-7/h3-6H,1-2H3,(H,11,13,14).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 809020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).