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

C9H9N3OS2 — CID 17217990

IUPAC5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2nncs2)s1
InChIInChI=1S/C9H9N3OS2/c1-2-6-3-4-7(15-6)8(13)11-9-12-10-5-14-9/h3-5H,2H2,1H3,(H,11,12,13)
InChIKeySCLIPEJSNGRVND-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.41
Rot. Bonds3

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

5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 17217990) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID17217990
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC Name5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2nncs2)s1
InChIInChI=1S/C9H9N3OS2/c1-2-6-3-4-7(15-6)8(13)11-9-12-10-5-14-9/h3-5H,2H2,1H3,(H,11,12,13)
InChIKeySCLIPEJSNGRVND-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 5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 17217990) is 5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCc1ccc(C(=O)Nc2nncs2)s1.
What is the InChIKey of 5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is SCLIPEJSNGRVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-2-6-3-4-7(15-6)8(13)11-9-12-10-5-14-9/h3-5H,2H2,1H3,(H,11,12,13).
What are the key properties of 5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
5-ethyl-N-(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 5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 17217990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).