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

C15H17NO3S — CID 116744555

IUPACmethyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(c1ccccc1)c1nc(CC(=O)OC)cs1
InChIInChI=1S/C15H17NO3S/c1-3-19-14(11-7-5-4-6-8-11)15-16-12(10-20-15)9-13(17)18-2/h4-8,10,14H,3,9H2,1-2H3
InChIKeyRSAGJRAUTOJSKJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.98
Rot. Bonds6

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

methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate (PubChem CID 116744555) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
PubChem CID116744555
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Namemethyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(c1ccccc1)c1nc(CC(=O)OC)cs1
InChIInChI=1S/C15H17NO3S/c1-3-19-14(11-7-5-4-6-8-11)15-16-12(10-20-15)9-13(17)18-2/h4-8,10,14H,3,9H2,1-2H3
InChIKeyRSAGJRAUTOJSKJ-UHFFFAOYSA-N
XLogP2.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.98
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
2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744578
4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole
CID 116744336
methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 116705291
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481
1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine
CID 116774603
N-[[2-[methoxy(phenyl)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774770
methyl 2-[2-[[(3S)-3-phenylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 38987354
2-[methoxy(phenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 116744399
methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate
CID 112510215
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate (CID 116744555) is methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate is CCOC(c1ccccc1)c1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is RSAGJRAUTOJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-19-14(11-7-5-4-6-8-11)15-16-12(10-20-15)9-13(17)18-2/h4-8,10,14H,3,9H2,1-2H3.
What are the key properties of methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 291.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 116744555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).