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

C14H15NO2S — CID 139233010

IUPACethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1Cc1ccccc1
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)13-12(18-10(2)15-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyRQWSYRBFCXMLSY-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.22
Rot. Bonds4

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

ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 139233010) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID139233010
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1Cc1ccccc1
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)13-12(18-10(2)15-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyRQWSYRBFCXMLSY-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate (CID 139233010) is ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C)sc1Cc1ccccc1.
What is the InChIKey of ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is RQWSYRBFCXMLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-17-14(16)13-12(18-10(2)15-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate?
ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzyl-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 139233010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).