N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide

C14H13N3OS2 — CID 71797160

IUPACN-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCc1ncc(-c2cccs2)[nH]1)c1ccsc1
InChIInChI=1S/C14H13N3OS2/c18-14(10-4-7-19-9-10)15-5-3-13-16-8-11(17-13)12-2-1-6-20-12/h1-2,4,6-9H,3,5H2,(H,15,18)(H,16,17)
InChIKeyPIDUAFBKUJHDPY-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide

N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide (PubChem CID 71797160) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide
PubChem CID71797160
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC NameN-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCc1ncc(-c2cccs2)[nH]1)c1ccsc1
InChIInChI=1S/C14H13N3OS2/c18-14(10-4-7-19-9-10)15-5-3-13-16-8-11(17-13)12-2-1-6-20-12/h1-2,4,6-9H,3,5H2,(H,15,18)(H,16,17)
InChIKeyPIDUAFBKUJHDPY-UHFFFAOYSA-N
XLogP3.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide (CID 71797160) is N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide is O=C(NCCc1ncc(-c2cccs2)[nH]1)c1ccsc1.
What is the InChIKey of N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is PIDUAFBKUJHDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c18-14(10-4-7-19-9-10)15-5-3-13-16-8-11(17-13)12-2-1-6-20-12/h1-2,4,6-9H,3,5H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide?
N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 71797160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).