2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide

C13H17N3O2S — CID 111750728

IUPAC2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(C)(O)c2cccs2)[nH]1
InChIInChI=1S/C13H17N3O2S/c1-3-11-14-7-9(16-11)12(17)15-8-13(2,18)10-5-4-6-19-10/h4-7,18H,3,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVQYMOXDBDMJHFK-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.67
Rot. Bonds5

About 2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide

2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide (PubChem CID 111750728) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide
PubChem CID111750728
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(C)(O)c2cccs2)[nH]1
InChIInChI=1S/C13H17N3O2S/c1-3-11-14-7-9(16-11)12(17)15-8-13(2,18)10-5-4-6-19-10/h4-7,18H,3,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVQYMOXDBDMJHFK-UHFFFAOYSA-N
XLogP1.67
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 111442034
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
N-(2-hydroxy-2-thiophen-2-ylpropyl)isoquinoline-1-carboxamide
CID 111441944
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiadiazole-5-carboxamide
CID 71782349
N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 111442055
N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 71985094
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
CID 99983177
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide (CID 111750728) is 2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide is CCc1ncc(C(=O)NCC(C)(O)c2cccs2)[nH]1.
What is the InChIKey of 2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide?
The InChIKey is VQYMOXDBDMJHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-11-14-7-9(16-11)12(17)15-8-13(2,18)10-5-4-6-19-10/h4-7,18H,3,8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide?
2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 111750728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).