2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide

C16H26N2O3S — CID 111460235

IUPAC2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESCCOC(C)c1nc(CC(=O)NCC2CCCC(O)C2)cs1
InChIInChI=1S/C16H26N2O3S/c1-3-21-11(2)16-18-13(10-22-16)8-15(20)17-9-12-5-4-6-14(19)7-12/h10-12,14,19H,3-9H2,1-2H3,(H,17,20)
InChIKeyXPQGPWWWAOMNGB-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.45
Rot. Bonds7

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

2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide (PubChem CID 111460235) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide
PubChem CID111460235
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESCCOC(C)c1nc(CC(=O)NCC2CCCC(O)C2)cs1
InChIInChI=1S/C16H26N2O3S/c1-3-21-11(2)16-18-13(10-22-16)8-15(20)17-9-12-5-4-6-14(19)7-12/h10-12,14,19H,3-9H2,1-2H3,(H,17,20)
InChIKeyXPQGPWWWAOMNGB-UHFFFAOYSA-N
XLogP2.45
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111539509
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111505745
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111619178
1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 167826871
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 124590393
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone
CID 122149082
2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106120872
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493097
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide
CID 86964999
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-ethylcyclohexyl)methyl]acetamide
CID 62799282

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide (CID 111460235) is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide is CCOC(C)c1nc(CC(=O)NCC2CCCC(O)C2)cs1.
What is the InChIKey of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is XPQGPWWWAOMNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-21-11(2)16-18-13(10-22-16)8-15(20)17-9-12-5-4-6-14(19)7-12/h10-12,14,19H,3-9H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide?
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 111460235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).