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

C7H9NO2S — CID 13015585

IUPACmethyl 5-ethyl-1,3-thiazole-4-carboxylate
SMILESCCc1scnc1C(=O)OC
InChIInChI=1S/C7H9NO2S/c1-3-5-6(7(9)10-2)8-4-11-5/h4H,3H2,1-2H3
InChIKeyUJWHTPUQSUHEGZ-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.49
Rot. Bonds2

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

methyl 5-ethyl-1,3-thiazole-4-carboxylate (PubChem CID 13015585) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is methyl 5-ethyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1,3-thiazole-4-carboxylate
PubChem CID13015585
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namemethyl 5-ethyl-1,3-thiazole-4-carboxylate
SMILESCCc1scnc1C(=O)OC
InChIInChI=1S/C7H9NO2S/c1-3-5-6(7(9)10-2)8-4-11-5/h4H,3H2,1-2H3
InChIKeyUJWHTPUQSUHEGZ-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Methylethyl)-4-thiazolecarboxylic acid
CID 22573054
Methyl 5-methylthiazole-4-carboxylate
CID 37818647
5-Ethyl-1,3-thiazole-4-carboxylic acid
CID 45121702
5-Ethynyl-4-methoxycarbonylthiazole
CID 86609810
Methyl 5-isopropylthiazole-4-carboxylate
CID 13015587
5-Acetyl-1,3-thiazole-4-carboxylic acid
CID 82378039
Ethyl 5-(fluoromethyl)-1,3-thiazole-4-carboxylate
CID 89274889
Ethyl 2-bromo-5-(1,1-difluoroethyl)-1,3-thiazole-4-carboxylate
CID 156249472
Ethyl 2-chloro-5-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
CID 177178134
Methyl 5-isobutyl-1,3-thiazole-4-carboxylate
CID 10921525
Ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate
CID 14358469
Methyl 2-bromo-5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-4-carboxylate
CID 165528605

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-1,3-thiazole-4-carboxylate (CID 13015585) is methyl 5-ethyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-1,3-thiazole-4-carboxylate is CCc1scnc1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-1,3-thiazole-4-carboxylate?
The InChIKey is UJWHTPUQSUHEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-3-5-6(7(9)10-2)8-4-11-5/h4H,3H2,1-2H3.
What are the key properties of methyl 5-ethyl-1,3-thiazole-4-carboxylate?
methyl 5-ethyl-1,3-thiazole-4-carboxylate has a molecular weight of 171.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 13015585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).