2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

C21H28N2O2S — CID 55583411

IUPAC2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)N(C)C3CCC(C)CC3)cs2)cc1
InChIInChI=1S/C21H28N2O2S/c1-4-25-19-11-7-16(8-12-19)21-22-17(14-26-21)13-20(24)23(3)18-9-5-15(2)6-10-18/h7-8,11-12,14-15,18H,4-6,9-10,13H2,1-3H3
InChIKeyLINBTTATGRLOJT-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.79
Rot. Bonds6

About 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 55583411) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID55583411
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)N(C)C3CCC(C)CC3)cs2)cc1
InChIInChI=1S/C21H28N2O2S/c1-4-25-19-11-7-16(8-12-19)21-22-17(14-26-21)13-20(24)23(3)18-9-5-15(2)6-10-18/h7-8,11-12,14-15,18H,4-6,9-10,13H2,1-3H3
InChIKeyLINBTTATGRLOJT-UHFFFAOYSA-N
XLogP4.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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-pyrrolidin-3-ylacetamide
CID 119553361
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
N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55585906
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 55670001
N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55514013
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 39081132
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39080906
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 46586397
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-phenyl-N-propan-2-ylacetamide
CID 52663114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 55583411) is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is CCOc1ccc(-c2nc(CC(=O)N(C)C3CCC(C)CC3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is LINBTTATGRLOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-4-25-19-11-7-16(8-12-19)21-22-17(14-26-21)13-20(24)23(3)18-9-5-15(2)6-10-18/h7-8,11-12,14-15,18H,4-6,9-10,13H2,1-3H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 372.53 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 55583411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).