5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide

C13H16ClN3OS — CID 13371094

IUPAC5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide
SMILESO=C(NCCCCCn1ccnc1)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClN3OS/c14-12-5-4-11(19-12)13(18)16-6-2-1-3-8-17-9-7-15-10-17/h4-5,7,9-10H,1-3,6,8H2,(H,16,18)
InChIKeyOTIRFTAMJDIMDF-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.20
Rot. Bonds7

About 5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide

5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide (PubChem CID 13371094) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide
PubChem CID13371094
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide
SMILESO=C(NCCCCCn1ccnc1)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClN3OS/c14-12-5-4-11(19-12)13(18)16-6-2-1-3-8-17-9-7-15-10-17/h4-5,7,9-10H,1-3,6,8H2,(H,16,18)
InChIKeyOTIRFTAMJDIMDF-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.20
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 5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide (CID 13371094) is 5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide is O=C(NCCCCCn1ccnc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide?
The InChIKey is OTIRFTAMJDIMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c14-12-5-4-11(19-12)13(18)16-6-2-1-3-8-17-9-7-15-10-17/h4-5,7,9-10H,1-3,6,8H2,(H,16,18).
What are the key properties of 5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide?
5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide has a molecular weight of 297.81 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-imidazol-1-ylpentyl)thiophene-2-carboxamide is sourced from PubChem (CID 13371094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).