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

C13H13NO2S — CID 2743970

IUPACethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C13H13NO2S/c1-3-16-13(15)11-9(2)14-12(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyFYPLITQTMHJFKK-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.30
Rot. Bonds3

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

ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 2743970) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID2743970
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Nameethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C13H13NO2S/c1-3-16-13(15)11-9(2)14-12(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyFYPLITQTMHJFKK-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 540397
Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
Ethyl 4-methyl-2-(thiophen-2-yl)-1,3-thiazole-5-carboxylate
CID 2744028
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 2763625
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2768679
Ethyl 5-acetyl-2-phenylthiazole-4-carboxylate
CID 2745356
Methyl 4-(dibromomethyl)-2-(4-chlorophenyl)thiazole-5-carboxylate
CID 24951029
Ethyl 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 59226310
Ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 135509402
4-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acid
CID 2775663
Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 7131013

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (CID 2743970) is ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is FYPLITQTMHJFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-3-16-13(15)11-9(2)14-12(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 247.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2743970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).