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

C12H15N3OS — CID 35523911

IUPACN-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H15N3OS/c1-10-3-8-17-11(10)12(16)14-4-2-6-15-7-5-13-9-15/h3,5,7-9H,2,4,6H2,1H3,(H,14,16)
InChIKeyOMNJFHFKQPHXPM-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.07
Rot. Bonds5

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

N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide (PubChem CID 35523911) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide
PubChem CID35523911
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H15N3OS/c1-10-3-8-17-11(10)12(16)14-4-2-6-15-7-5-13-9-15/h3,5,7-9H,2,4,6H2,1H3,(H,14,16)
InChIKeyOMNJFHFKQPHXPM-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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Related Compounds

5-chloro-N-[3-(1H-imidazol-1-yl)propyl]thiophene-2-carboxamide
CID 2970607
N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4786895
N-[2-(1H-imidazol-4-yl)ethyl]-2-thiophenecarboxamide
CID 6457652
N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-3-carboxamide
CID 2970959
4,5-dibromo-N-[3-(1H-imidazol-1-yl)propyl]thiophene-2-carboxamide
CID 4834145
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
N-[1-(3-Imidazol-1-yl-propylcarbamoyl)-2-thiophen-2-yl-vinyl]-4-methyl-benzamide
CID 2874139
2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 2954742
N-[3-(1H-imidazol-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 2970718

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide (CID 35523911) is N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide?
The InChIKey is OMNJFHFKQPHXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-10-3-8-17-11(10)12(16)14-4-2-6-15-7-5-13-9-15/h3,5,7-9H,2,4,6H2,1H3,(H,14,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-3-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)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 35523911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).