2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide

C11H13N3OS — CID 126820136

IUPAC2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccs2)c(C)[nH]1
InChIInChI=1S/C11H13N3OS/c1-7-10(14-8(2)13-7)11(15)12-6-9-4-3-5-16-9/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyXMYQKKCXFDLZDN-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.02
Rot. Bonds3

About 2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide

2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide (PubChem CID 126820136) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
PubChem CID126820136
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccs2)c(C)[nH]1
InChIInChI=1S/C11H13N3OS/c1-7-10(14-8(2)13-7)11(15)12-6-9-4-3-5-16-9/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyXMYQKKCXFDLZDN-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 135956418
5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53195229
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
5-methyl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 78859110
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134794015
N-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethylcarbamoylamino)thiadiazole-4-carboxamide
CID 43819427
2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 20959702

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide (CID 126820136) is 2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide is Cc1nc(C(=O)NCc2cccs2)c(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide?
The InChIKey is XMYQKKCXFDLZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-10(14-8(2)13-7)11(15)12-6-9-4-3-5-16-9/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide?
2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 126820136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).