N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide

C11H13N3OS — CID 2842773

IUPACN-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cccs1
InChIInChI=1S/C11H13N3OS/c15-11(10-3-1-8-16-10)13-4-2-6-14-7-5-12-9-14/h1,3,5,7-9H,2,4,6H2,(H,13,15)
InChIKeyQHFGJEMEDDBUEO-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.76
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide

N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 2842773) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
PubChem CID2842773
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cccs1
InChIInChI=1S/C11H13N3OS/c15-11(10-3-1-8-16-10)13-4-2-6-14-7-5-12-9-14/h1,3,5,7-9H,2,4,6H2,(H,13,15)
InChIKeyQHFGJEMEDDBUEO-UHFFFAOYSA-N
XLogP1.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide (CID 2842773) is N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide is O=C(NCCCn1ccnc1)c1cccs1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is QHFGJEMEDDBUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-11(10-3-1-8-16-10)13-4-2-6-14-7-5-12-9-14/h1,3,5,7-9H,2,4,6H2,(H,13,15).
What are the key properties of N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 2842773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).