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

C13H13NO2S — CID 123997957

IUPACmethyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate
SMILESCCc1c(-c2ccccc2)nsc1C(=O)OC
InChIInChI=1S/C13H13NO2S/c1-3-10-11(9-7-5-4-6-8-9)14-17-12(10)13(15)16-2/h4-8H,3H2,1-2H3
InChIKeyNBLQQTZIECEPKK-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.16
Rot. Bonds3

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

methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate (PubChem CID 123997957) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate
PubChem CID123997957
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Namemethyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate
SMILESCCc1c(-c2ccccc2)nsc1C(=O)OC
InChIInChI=1S/C13H13NO2S/c1-3-10-11(9-7-5-4-6-8-9)14-17-12(10)13(15)16-2/h4-8H,3H2,1-2H3
InChIKeyNBLQQTZIECEPKK-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-3-phenyl-1,2-thiazole-4-carboxylate
CID 121006068
methyl 3-amino-4-ethyl-5-phenylthiophene-2-carboxylate
CID 61312784
methyl 4-ethyl-5-phenylthiophene-3-carboxylate
CID 114748225
ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate
CID 42883070
methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
methyl 2-ethyl-3-iodo-5-phenylimidazole-4-carboxylate
CID 69328969
4-chloro-3-phenyl-1,2-thiazole-5-carboxylic acid
CID 13073240
methyl 5-ethyl-4-phenylthiophene-2-carboxylate
CID 58438730
methyl 3-ethyl-4-iodo-5-phenyl-1H-pyrrole-2-carboxylate
CID 135385489
dimethyl 5-phenyl-1,2-thiazole-3,4-dicarboxylate
CID 14546399
methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68629153
[5-(hydroxymethyl)-3-phenyl-1,2-thiazol-4-yl]methanol
CID 13435381

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate (CID 123997957) is methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate is CCc1c(-c2ccccc2)nsc1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate?
The InChIKey is NBLQQTZIECEPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-3-10-11(9-7-5-4-6-8-9)14-17-12(10)13(15)16-2/h4-8H,3H2,1-2H3.
What are the key properties of methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate?
methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate has a molecular weight of 247.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 123997957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).