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

C7H9NO2S — CID 12808791

IUPACethyl 2-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C)s1
InChIInChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3
InChIKeyORCQTMZHDQSNOJ-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.63
Rot. Bonds2

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

ethyl 2-methyl-1,3-thiazole-5-carboxylate (PubChem CID 12808791) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is ethyl 2-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1,3-thiazole-5-carboxylate
PubChem CID12808791
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Nameethyl 2-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C)s1
InChIInChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3
InChIKeyORCQTMZHDQSNOJ-UHFFFAOYSA-N
XLogP1.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethylsulfanyl-1,3-thiazole-5-carboxylate
CID 173319674
ethyl 2-(2-methyl-1,3-thiazol-5-yl)-2-oxoacetate;2-(2-methyl-1,3-thiazol-5-yl)-2-oxoacetic acid
CID 161014927
2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 66714979
ethane;ethyl 2-(3-oxopropyl)-1,3-thiazole-5-carboxylate
CID 145400595
ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate
CID 71425005
chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 20535196
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 83306355
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
ethyl 2-(4-ethoxy-4-oxobut-1-enyl)-1,3-thiazole-5-carboxylate
CID 170796541
(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one
CID 96631567
ethyl 2-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-5-carboxylate
CID 170830493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-1,3-thiazole-5-carboxylate (CID 12808791) is ethyl 2-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(C)s1.
What is the InChIKey of ethyl 2-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ORCQTMZHDQSNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 171.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 12808791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).