5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid

C13H15N3O3S — CID 166275403

IUPAC5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid
SMILESCCn1ccnc1C(C)NC(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C13H15N3O3S/c1-3-16-5-4-14-11(16)8(2)15-12(17)10-6-9(7-20-10)13(18)19/h4-8H,3H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCNEYWISDLMDBAD-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.15
Rot. Bonds5

About 5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid

5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid (PubChem CID 166275403) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid
PubChem CID166275403
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid
SMILESCCn1ccnc1C(C)NC(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C13H15N3O3S/c1-3-16-5-4-14-11(16)8(2)15-12(17)10-6-9(7-20-10)13(18)19/h4-8H,3H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCNEYWISDLMDBAD-UHFFFAOYSA-N
XLogP2.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid (CID 166275403) is 5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid is CCn1ccnc1C(C)NC(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid?
The InChIKey is CNEYWISDLMDBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-16-5-4-14-11(16)8(2)15-12(17)10-6-9(7-20-10)13(18)19/h4-8H,3H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid?
5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylimidazol-2-yl)ethylcarbamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 166275403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).