ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate

C14H15NO3S — CID 137320111

IUPACethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(COCc2ccccc2)n1
InChIInChI=1S/C14H15NO3S/c1-2-18-14(16)12-10-19-13(15-12)9-17-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyQGGNFUMGEONQDR-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.04
Rot. Bonds6

About ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate

ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate (PubChem CID 137320111) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
PubChem CID137320111
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(COCc2ccccc2)n1
InChIInChI=1S/C14H15NO3S/c1-2-18-14(16)12-10-19-13(15-12)9-17-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyQGGNFUMGEONQDR-UHFFFAOYSA-N
XLogP3.04
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 99816625
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate
CID 103473342
ethyl 2-(methylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 115422507
ethyl 2-[[3,5-bis[(4-ethoxycarbonyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-1,3-thiazole-4-carboxylate
CID 102278062
ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
CID 90326274
ethyl 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 120596964
benzyl 2-iodo-1,3-thiazole-4-carboxylate
CID 167095055
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
methyl 2-[[(2-phenylmethoxyacetyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 42766818
ethyl 2-(2,2,2-trichloroethoxycarbonyloxymethyl)-1,3-thiazole-4-carboxylate
CID 10594849
ethyl 2-[[(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 19864880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate (CID 137320111) is ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(COCc2ccccc2)n1.
What is the InChIKey of ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QGGNFUMGEONQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-2-18-14(16)12-10-19-13(15-12)9-17-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3.
What are the key properties of ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 137320111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).