ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate

C14H15NO3S — CID 54258087

IUPACethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(=O)n(Cc2ccccc2)c1C
InChIInChI=1S/C14H15NO3S/c1-3-18-13(16)12-10(2)15(14(17)19-12)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyRBMFHRDTDVNBSY-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.44
Rot. Bonds4

About ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate

ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate (PubChem CID 54258087) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate
PubChem CID54258087
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(=O)n(Cc2ccccc2)c1C
InChIInChI=1S/C14H15NO3S/c1-3-18-13(16)12-10(2)15(14(17)19-12)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyRBMFHRDTDVNBSY-UHFFFAOYSA-N
XLogP2.44
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate (CID 54258087) is ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(=O)n(Cc2ccccc2)c1C.
What is the InChIKey of ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate?
The InChIKey is RBMFHRDTDVNBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-18-13(16)12-10(2)15(14(17)19-12)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate?
ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-4-methyl-2-oxo-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 54258087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).