N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide

C21H28N2O2S — CID 55585906

IUPACN-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCCOc1ccc(-c2nc(CC(=O)N(C)CC3CCCCC3)cs2)cc1
InChIInChI=1S/C21H28N2O2S/c1-3-25-19-11-9-17(10-12-19)21-22-18(15-26-21)13-20(24)23(2)14-16-7-5-4-6-8-16/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyICRPGQVMEDEBFG-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.79
Rot. Bonds7

About N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide

N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide (PubChem CID 55585906) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
PubChem CID55585906
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCCOc1ccc(-c2nc(CC(=O)N(C)CC3CCCCC3)cs2)cc1
InChIInChI=1S/C21H28N2O2S/c1-3-25-19-11-9-17(10-12-19)21-22-18(15-26-21)13-20(24)23(2)14-16-7-5-4-6-8-16/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyICRPGQVMEDEBFG-UHFFFAOYSA-N
XLogP4.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55583411
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553361
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 46586397
N-cyclohexyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17414302
N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584095
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119397745
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 55670001
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 109400065
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278
1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78788253
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-phenyl-N-propan-2-ylacetamide
CID 52663114
(3R)-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124683151

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide (CID 55585906) is N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide is CCOc1ccc(-c2nc(CC(=O)N(C)CC3CCCCC3)cs2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The InChIKey is ICRPGQVMEDEBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-3-25-19-11-9-17(10-12-19)21-22-18(15-26-21)13-20(24)23(2)14-16-7-5-4-6-8-16/h9-12,15-16H,3-8,13-14H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide has a molecular weight of 372.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 55585906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).