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

C14H15NO2S — CID 7454215

IUPACethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cc2ccccc2)nc1C
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)13-10(2)15-12(18-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyLAKGJGQRLXYJNI-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.22
Rot. Bonds4

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

ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 7454215) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID7454215
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cc2ccccc2)nc1C
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)13-10(2)15-12(18-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyLAKGJGQRLXYJNI-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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Related Compounds

ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 68982830
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 4-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylate
CID 71071577
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
(2-ethoxyphenyl) 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 55667253
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82121319
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
methyl 2-[(3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 79017484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate (CID 7454215) is ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cc2ccccc2)nc1C.
What is the InChIKey of ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is LAKGJGQRLXYJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-17-14(16)13-10(2)15-12(18-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-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 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7454215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).