N-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide

C12H15N3OS — CID 13371091

IUPACN-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCCn2ccnc2)s1
InChIInChI=1S/C12H15N3OS/c1-10-3-4-11(17-10)12(16)14-5-2-7-15-8-6-13-9-15/h3-4,6,8-9H,2,5,7H2,1H3,(H,14,16)
InChIKeyZMMSSWBMCUIDFQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.07
Rot. Bonds5

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

N-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide (PubChem CID 13371091) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide
PubChem CID13371091
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCCn2ccnc2)s1
InChIInChI=1S/C12H15N3OS/c1-10-3-4-11(17-10)12(16)14-5-2-7-15-8-6-13-9-15/h3-4,6,8-9H,2,5,7H2,1H3,(H,14,16)
InChIKeyZMMSSWBMCUIDFQ-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.07
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)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide (CID 13371091) is N-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCCCn2ccnc2)s1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide?
The InChIKey is ZMMSSWBMCUIDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-10-3-4-11(17-10)12(16)14-5-2-7-15-8-6-13-9-15/h3-4,6,8-9H,2,5,7H2,1H3,(H,14,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-methylthiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.07, 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)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 13371091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).