methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate

C12H17NO3S — CID 116705291

IUPACmethyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(c1nc(CC(=O)OC)cs1)C1CC1
InChIInChI=1S/C12H17NO3S/c1-3-16-11(8-4-5-8)12-13-9(7-17-12)6-10(14)15-2/h7-8,11H,3-6H2,1-2H3
InChIKeyHEZHWWYPRHPADU-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.35
Rot. Bonds6

About methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate (PubChem CID 116705291) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
PubChem CID116705291
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(c1nc(CC(=O)OC)cs1)C1CC1
InChIInChI=1S/C12H17NO3S/c1-3-16-11(8-4-5-8)12-13-9(7-17-12)6-10(14)15-2/h7-8,11H,3-6H2,1-2H3
InChIKeyHEZHWWYPRHPADU-UHFFFAOYSA-N
XLogP2.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate
CID 116705184
4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116705113
methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 116744555
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774768
1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 116728252
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
2-[cyclopropyl(methoxy)methyl]-4-(methoxymethyl)-1,3-thiazole
CID 107511836
2-[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744592
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727926
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116727916
methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate
CID 112510215

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate (CID 116705291) is methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate is CCOC(c1nc(CC(=O)OC)cs1)C1CC1.
What is the InChIKey of methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is HEZHWWYPRHPADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-16-11(8-4-5-8)12-13-9(7-17-12)6-10(14)15-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 255.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 116705291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).