[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate

C15H15NO3S — CID 71904980

IUPAC[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
SMILESCOc1cccc(-c2nc(COC(=O)C3CC3)cs2)c1
InChIInChI=1S/C15H15NO3S/c1-18-13-4-2-3-11(7-13)14-16-12(9-20-14)8-19-15(17)10-5-6-10/h2-4,7,9-10H,5-6,8H2,1H3
InChIKeyKYZXOKIPPHPROM-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.27
Rot. Bonds5

About [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate

[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate (PubChem CID 71904980) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
PubChem CID71904980
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
SMILESCOc1cccc(-c2nc(COC(=O)C3CC3)cs2)c1
InChIInChI=1S/C15H15NO3S/c1-18-13-4-2-3-11(7-13)14-16-12(9-20-14)8-19-15(17)10-5-6-10/h2-4,7,9-10H,5-6,8H2,1H3
InChIKeyKYZXOKIPPHPROM-UHFFFAOYSA-N
XLogP3.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl (1S,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 98419656
1-O-tert-butyl 4-O-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl] piperidine-1,4-dicarboxylate
CID 55392861
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 42989680
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
CID 7789627
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
CID 7776653
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 7838007
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 55322934
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(carbamoylamino)benzoate
CID 8804178
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-propanoylphenoxy)acetate
CID 9326922
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907156
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxo-4-thiophen-2-ylbutanoate
CID 7810063
1-[3-methoxy-4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 26036629

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate?
The IUPAC name of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate (CID 71904980) is [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate.
What is the SMILES notation for [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate?
The canonical SMILES for [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate is COc1cccc(-c2nc(COC(=O)C3CC3)cs2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate?
The InChIKey is KYZXOKIPPHPROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-18-13-4-2-3-11(7-13)14-16-12(9-20-14)8-19-15(17)10-5-6-10/h2-4,7,9-10H,5-6,8H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate?
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate is sourced from PubChem (CID 71904980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).