ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate

C13H13NO2S — CID 91757223

IUPACethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2C)s1
InChIInChI=1S/C13H13NO2S/c1-3-16-13(15)11-8-14-12(17-11)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3
InChIKeyTZJWDCPNSSKFQN-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.30
Rot. Bonds3

About ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate

ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 91757223) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
PubChem CID91757223
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Nameethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2C)s1
InChIInChI=1S/C13H13NO2S/c1-3-16-13(15)11-8-14-12(17-11)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3
InChIKeyTZJWDCPNSSKFQN-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

ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 141359710
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
CID 66644585
chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 20535196
ethyl 2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazole-5-carboxylate
CID 155254119
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
ethyl 2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 54007539
ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate
CID 178134006
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091825
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
ethyl 2-ethylsulfanyl-1,3-thiazole-5-carboxylate
CID 173319674
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate (CID 91757223) is ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2C)s1.
What is the InChIKey of ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is TZJWDCPNSSKFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-3-16-13(15)11-8-14-12(17-11)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(2-methylphenyl)-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 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 91757223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).