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

C10H11N3OS2 — CID 809018

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C10H11N3OS2/c1-2-4-8-12-13-10(16-8)11-9(14)7-5-3-6-15-7/h3,5-6H,2,4H2,1H3,(H,11,13,14)
InChIKeyXPOWPQQCGDCUCO-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.80
Rot. Bonds4

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

N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 809018) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID809018
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C10H11N3OS2/c1-2-4-8-12-13-10(16-8)11-9(14)7-5-3-6-15-7/h3,5-6H,2,4H2,1H3,(H,11,13,14)
InChIKeyXPOWPQQCGDCUCO-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 809018) is N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCCc1nnc(NC(=O)c2cccs2)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is XPOWPQQCGDCUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-2-4-8-12-13-10(16-8)11-9(14)7-5-3-6-15-7/h3,5-6H,2,4H2,1H3,(H,11,13,14).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 809018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).