1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid

C13H18N2O4S — CID 167826871

IUPAC1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid
SMILESCCOC(C)c1nc(CC(=O)NC2(C(=O)O)CC2)cs1
InChIInChI=1S/C13H18N2O4S/c1-3-19-8(2)11-14-9(7-20-11)6-10(16)15-13(4-5-13)12(17)18/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyJMKWPQATKPJLSB-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.52
Rot. Bonds7

About 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid

1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 167826871) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID167826871
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid
SMILESCCOC(C)c1nc(CC(=O)NC2(C(=O)O)CC2)cs1
InChIInChI=1S/C13H18N2O4S/c1-3-19-8(2)11-14-9(7-20-11)6-10(16)15-13(4-5-13)12(17)18/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyJMKWPQATKPJLSB-UHFFFAOYSA-N
XLogP1.52
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111539509
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-(3-iodo-4-methylphenyl)acetamide
CID 86964848
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-hydroxycyclohexyl)methyl]acetamide
CID 111460235
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide
CID 86964999
4-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiane-4-carboxylic acid
CID 134601474
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 116705291
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125152734
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493097

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid (CID 167826871) is 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid is CCOC(C)c1nc(CC(=O)NC2(C(=O)O)CC2)cs1.
What is the InChIKey of 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is JMKWPQATKPJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-3-19-8(2)11-14-9(7-20-11)6-10(16)15-13(4-5-13)12(17)18/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167826871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).