methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate

C11H15NO3S — CID 116705184

IUPACmethyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(c1nc(C(=O)OC)cs1)C1CC1
InChIInChI=1S/C11H15NO3S/c1-3-15-9(7-4-5-7)10-12-8(6-16-10)11(13)14-2/h6-7,9H,3-5H2,1-2H3
InChIKeyLEWJECNUZRLNEH-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.42
Rot. Bonds5

About methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate

methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate (PubChem CID 116705184) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate
PubChem CID116705184
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(c1nc(C(=O)OC)cs1)C1CC1
InChIInChI=1S/C11H15NO3S/c1-3-15-9(7-4-5-7)10-12-8(6-16-10)11(13)14-2/h6-7,9H,3-5H2,1-2H3
InChIKeyLEWJECNUZRLNEH-UHFFFAOYSA-N
XLogP2.42
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 116705291
methyl 2-[acetyloxy(cyclohexyl)methyl]-1,3-thiazole-4-carboxylate
CID 12991949
1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 116728252
4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116705113
methyl 2-[cyano(cyclopentyl)methyl]-1,3-thiazole-4-carboxylate
CID 82931848
2-[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744592
1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 116774203
methyl 2-[(1S)-1-hydroxy-2-methylpropyl]-1,3-thiazole-4-carboxylate
CID 10998411
methyl 2-[(1R)-1-hydroxy-2-methylpropyl]-1,3-thiazole-4-carboxylate
CID 11378914
methyl 2-(3-bromo-1,2-dihydroxypropyl)-1,3-thiazole-4-carboxylate
CID 171860069
methyl 2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropylpropanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carboxylate
CID 134490256
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate (CID 116705184) is methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate is CCOC(c1nc(C(=O)OC)cs1)C1CC1.
What is the InChIKey of methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is LEWJECNUZRLNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-15-9(7-4-5-7)10-12-8(6-16-10)11(13)14-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 241.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116705184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).