N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide

C11H13N3OS — CID 131945847

IUPACN-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
SMILESCCC(NC(=O)c1ncc[nH]1)c1cccs1
InChIInChI=1S/C11H13N3OS/c1-2-8(9-4-3-7-16-9)14-11(15)10-12-5-6-13-10/h3-8H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyOAXCAYHWQYUHDW-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.35
Rot. Bonds4

About N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide

N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide (PubChem CID 131945847) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
PubChem CID131945847
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
SMILESCCC(NC(=O)c1ncc[nH]1)c1cccs1
InChIInChI=1S/C11H13N3OS/c1-2-8(9-4-3-7-16-9)14-11(15)10-12-5-6-13-10/h3-8H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyOAXCAYHWQYUHDW-UHFFFAOYSA-N
XLogP2.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
CID 56876010
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 47316513
2-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 62179628
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide
CID 107261861
5-(methylamino)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104640542
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 53144477
4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55034284

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide (CID 131945847) is N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide is CCC(NC(=O)c1ncc[nH]1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide?
The InChIKey is OAXCAYHWQYUHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-8(9-4-3-7-16-9)14-11(15)10-12-5-6-13-10/h3-8H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide?
N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 131945847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).