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

C14H22N2O3S — CID 111539509

IUPAC2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCCOC(C)c1nc(CC(=O)NCC2(O)CCC2)cs1
InChIInChI=1S/C14H22N2O3S/c1-3-19-10(2)13-16-11(8-20-13)7-12(17)15-9-14(18)5-4-6-14/h8,10,18H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyAJHWAKNVSAFEKM-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.81
Rot. Bonds7

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

2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (PubChem CID 111539509) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
PubChem CID111539509
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCCOC(C)c1nc(CC(=O)NCC2(O)CCC2)cs1
InChIInChI=1S/C14H22N2O3S/c1-3-19-10(2)13-16-11(8-20-13)7-12(17)15-9-14(18)5-4-6-14/h8,10,18H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyAJHWAKNVSAFEKM-UHFFFAOYSA-N
XLogP1.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445318
1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 167826871
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111446010
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460235
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide
CID 86964999
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 124590393
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide
CID 86964848
2-(1-aminoethyl)-N-[(1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389389
ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111446165

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (CID 111539509) is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is CCOC(C)c1nc(CC(=O)NCC2(O)CCC2)cs1.
What is the InChIKey of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is AJHWAKNVSAFEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-19-10(2)13-16-11(8-20-13)7-12(17)15-9-14(18)5-4-6-14/h8,10,18H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.81, 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-[(1-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 111539509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).