N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

C12H15N3O2S — CID 131918159

IUPACN-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
SMILESCn1cncc1C(=O)N(CCO)Cc1cccs1
InChIInChI=1S/C12H15N3O2S/c1-14-9-13-7-11(14)12(17)15(4-5-16)8-10-3-2-6-18-10/h2-3,6-7,9,16H,4-5,8H2,1H3
InChIKeyLGXQFJGLCJFEAG-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.12
Rot. Bonds5

About N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (PubChem CID 131918159) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
PubChem CID131918159
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
SMILESCn1cncc1C(=O)N(CCO)Cc1cccs1
InChIInChI=1S/C12H15N3O2S/c1-14-9-13-7-11(14)12(17)15(4-5-16)8-10-3-2-6-18-10/h2-3,6-7,9,16H,4-5,8H2,1H3
InChIKeyLGXQFJGLCJFEAG-UHFFFAOYSA-N
XLogP1.12
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 131932038
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
N,N-bis(2-chloroethyl)-3-methylimidazole-4-carboxamide
CID 103511157
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60700789
N-ethyl-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 39243285
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-N-(2-phenylethyl)imidazole-4-carboxamide
CID 42789416
N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 112810405
N-benzyl-N,3-dimethylimidazole-4-carboxamide
CID 110851099
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
2-[thiophen-2-ylmethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]ethanol
CID 134702822
N-(3-bromopropyl)-N-ethyl-3-methylimidazole-4-carboxamide
CID 103512194
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (CID 131918159) is N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is Cn1cncc1C(=O)N(CCO)Cc1cccs1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The InChIKey is LGXQFJGLCJFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-14-9-13-7-11(14)12(17)15(4-5-16)8-10-3-2-6-18-10/h2-3,6-7,9,16H,4-5,8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 131918159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).