methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate

C13H13NO2S — CID 115422199

IUPACmethyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1ccccc1-c1nc(C(=O)OC)cs1
InChIInChI=1S/C13H13NO2S/c1-3-9-6-4-5-7-10(9)12-14-11(8-17-12)13(15)16-2/h4-8H,3H2,1-2H3
InChIKeyAWWPEVHLVNFJSO-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.16
Rot. Bonds3

About methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate

methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 115422199) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID115422199
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Namemethyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1ccccc1-c1nc(C(=O)OC)cs1
InChIInChI=1S/C13H13NO2S/c1-3-9-6-4-5-7-10(9)12-14-11(8-17-12)13(15)16-2/h4-8H,3H2,1-2H3
InChIKeyAWWPEVHLVNFJSO-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 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 113306366
ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 58924938
methyl 2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 169498575
ethyl 2-[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-1,3-thiazole-4-carboxylate
CID 52904818
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
methyl 2-(1H-pyrrol-2-yl)-1,3-thiazole-4-carboxylate
CID 136984627
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838094
methyl 2-(6-bromo-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498453
2-[2-(butylsulfanylmethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 94804942
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423885

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate (CID 115422199) is methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate is CCc1ccccc1-c1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is AWWPEVHLVNFJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-3-9-6-4-5-7-10(9)12-14-11(8-17-12)13(15)16-2/h4-8H,3H2,1-2H3.
What are the key properties of methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate?
methyl 2-(2-ethylphenyl)-1,3-thiazole-4-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 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).