N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide

C15H18FN3O2S — CID 78796401

IUPACN-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1cnc(SC)n1-c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2S/c1-3-18(8-9-20)14(21)13-10-17-15(22-2)19(13)12-6-4-11(16)5-7-12/h4-7,10,20H,3,8-9H2,1-2H3
InChIKeyKBINFLFPWMCKOJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.19
Rot. Bonds6

About N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide

N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide (PubChem CID 78796401) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide
PubChem CID78796401
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1cnc(SC)n1-c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2S/c1-3-18(8-9-20)14(21)13-10-17-15(22-2)19(13)12-6-4-11(16)5-7-12/h4-7,10,20H,3,8-9H2,1-2H3
InChIKeyKBINFLFPWMCKOJ-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylsulfanyl)-1-phenyl-1H-imidazole-5-carboxylic acid
CID 4961976
1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid
CID 2113884
2-[2-(4-Ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid
CID 4835132
3-(4-fluorophenyl)-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)imidazole-4-carboxamide
CID 16281659
7-allyl-6-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 70729290
6-(4-fluorophenyl)-N-(2-hydroxypropyl)-N-methyl-7-(3-methylbut-2-en-1-yl)-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 70747590
1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide
CID 75437041
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 155534183
(1-methylimidazol-4-yl)-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)methanone
CID 91924201
1-(4-Fluorobenzyl)-2-(meth-ylthio)-1h-imidazole-5-carbaldehyde
CID 129824830
1-Phenylimidazole-4-carbonyl fluoride
CID 176438567
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 9118639

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide (CID 78796401) is N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide is CCN(CCO)C(=O)c1cnc(SC)n1-c1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide?
The InChIKey is KBINFLFPWMCKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-3-18(8-9-20)14(21)13-10-17-15(22-2)19(13)12-6-4-11(16)5-7-12/h4-7,10,20H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide?
N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide is sourced from PubChem (CID 78796401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).