N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide

C14H13N3O2S — CID 71797239

IUPACN-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ncc(-c2ccco2)[nH]1)c1cccs1
InChIInChI=1S/C14H13N3O2S/c18-14(12-4-2-8-20-12)15-6-5-13-16-9-10(17-13)11-3-1-7-19-11/h1-4,7-9H,5-6H2,(H,15,18)(H,16,17)
InChIKeyXNTKOPKGLJNEML-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.70
Rot. Bonds5

About N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide

N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 71797239) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID71797239
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ncc(-c2ccco2)[nH]1)c1cccs1
InChIInChI=1S/C14H13N3O2S/c18-14(12-4-2-8-20-12)15-6-5-13-16-9-10(17-13)11-3-1-7-19-11/h1-4,7-9H,5-6H2,(H,15,18)(H,16,17)
InChIKeyXNTKOPKGLJNEML-UHFFFAOYSA-N
XLogP2.70
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide (CID 71797239) is N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide is O=C(NCCc1ncc(-c2ccco2)[nH]1)c1cccs1.
What is the InChIKey of N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is XNTKOPKGLJNEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-14(12-4-2-8-20-12)15-6-5-13-16-9-10(17-13)11-3-1-7-19-11/h1-4,7-9H,5-6H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71797239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).