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

C9H9N3OS2 — CID 745404

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C9H9N3OS2/c1-2-7-11-12-9(15-7)10-8(13)6-4-3-5-14-6/h3-5H,2H2,1H3,(H,10,12,13)
InChIKeyANQRKABCVGPWKY-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.41
Rot. Bonds3

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 745404) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID745404
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C9H9N3OS2/c1-2-7-11-12-9(15-7)10-8(13)6-4-3-5-14-6/h3-5H,2H2,1H3,(H,10,12,13)
InChIKeyANQRKABCVGPWKY-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 745404) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCc1nnc(NC(=O)c2cccs2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is ANQRKABCVGPWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-2-7-11-12-9(15-7)10-8(13)6-4-3-5-14-6/h3-5H,2H2,1H3,(H,10,12,13).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 745404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).