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

C11H12ClN3OS — CID 2970607

IUPAC5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3OS/c12-10-3-2-9(17-10)11(16)14-4-1-6-15-7-5-13-8-15/h2-3,5,7-8H,1,4,6H2,(H,14,16)
InChIKeyKWTXFPQXVFJISE-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.42
Rot. Bonds5

About 5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide

5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 2970607) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
PubChem CID2970607
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3OS/c12-10-3-2-9(17-10)11(16)14-4-1-6-15-7-5-13-8-15/h2-3,5,7-8H,1,4,6H2,(H,14,16)
InChIKeyKWTXFPQXVFJISE-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.42
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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Related Compounds

3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 3152639
4,5-dibromo-N-[3-(1H-imidazol-1-yl)propyl]thiophene-2-carboxamide
CID 4834145
5-Chloro-benzo[b]thiophene-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 13371082
5-Chloro-thiophene-2-carboxylic acid (4-imidazol-1-yl-butyl)-amide
CID 13371092
5-Chloro-thiophene-2-carboxylic acid (5-imidazol-1-yl-pentyl)-amide
CID 13371094
5-Chloro-thiophene-2-carboxylic acid (8-imidazol-1-yl-octyl)-amide
CID 13371095
5-Chloro-thiophene-2-carboxylic acid (6-imidazol-1-yl-hexyl)-amide
CID 20435302
4-bromo-5-ethyl-N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2971029
N-[3-(1H-imidazol-1-yl)propyl]-5-methylthiophene-2-carboxamide
CID 13371091
5-bromo-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
CID 2971078
N-[4-(1H-imidazol-1-yl)butyl]-2-thiophenecarboxamide
CID 13371093
5-Chloro-thiophene-2-carboxylic acid (3-imidazol-1-yl-butyl)-amide
CID 13371096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide (CID 2970607) is 5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide is O=C(NCCCn1ccnc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is KWTXFPQXVFJISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c12-10-3-2-9(17-10)11(16)14-4-1-6-15-7-5-13-8-15/h2-3,5,7-8H,1,4,6H2,(H,14,16).
What are the key properties of 5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 269.76 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 2970607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).