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

C11H12N2OS2 — CID 1247663

IUPAC5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2nccs2)cs1
InChIInChI=1S/C11H12N2OS2/c1-2-3-9-6-8(7-16-9)10(14)13-11-12-4-5-15-11/h4-7H,2-3H2,1H3,(H,12,13,14)
InChIKeyGHBALJSSMCSKRS-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.41
Rot. Bonds4

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

5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide (PubChem CID 1247663) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
PubChem CID1247663
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2nccs2)cs1
InChIInChI=1S/C11H12N2OS2/c1-2-3-9-6-8(7-16-9)10(14)13-11-12-4-5-15-11/h4-7H,2-3H2,1H3,(H,12,13,14)
InChIKeyGHBALJSSMCSKRS-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1,3-thiazol-2-yl)benzamide
CID 225470
N-2-Thiazolylbenzamide
CID 569547
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2529101
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 1225713
N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2307157
3-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2370424
3-Chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 606795
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1246066
5-ethyl-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2438682
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2458204

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide (CID 1247663) is 5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide is CCCc1cc(C(=O)Nc2nccs2)cs1.
What is the InChIKey of 5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is GHBALJSSMCSKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-2-3-9-6-8(7-16-9)10(14)13-11-12-4-5-15-11/h4-7H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide?
5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 1247663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).