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

C13H16N2OS2 — CID 26087870

IUPAC4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2nccs2)cc1CC
InChIInChI=1S/C13H16N2OS2/c1-3-5-10-9(4-2)8-11(18-10)12(16)15-13-14-6-7-17-13/h6-8H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyAUGPGDHUWKVDBA-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.97
Rot. Bonds5

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

4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 26087870) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID26087870
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2nccs2)cc1CC
InChIInChI=1S/C13H16N2OS2/c1-3-5-10-9(4-2)8-11(18-10)12(16)15-13-14-6-7-17-13/h6-8H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyAUGPGDHUWKVDBA-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 26087870) is 4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is CCCc1sc(C(=O)Nc2nccs2)cc1CC.
What is the InChIKey of 4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is AUGPGDHUWKVDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-3-5-10-9(4-2)8-11(18-10)12(16)15-13-14-6-7-17-13/h6-8H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 26087870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).