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

C8H11NO2S — CID 4275287

IUPACmethyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCc1sc(C)nc1C(=O)OC
InChIInChI=1S/C8H11NO2S/c1-4-6-7(8(10)11-3)9-5(2)12-6/h4H2,1-3H3
InChIKeyCJZOMPVUWWHPJW-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.80
Rot. Bonds2

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

methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 4275287) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID4275287
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCc1sc(C)nc1C(=O)OC
InChIInChI=1S/C8H11NO2S/c1-4-6-7(8(10)11-3)9-5(2)12-6/h4H2,1-3H3
InChIKeyCJZOMPVUWWHPJW-UHFFFAOYSA-N
XLogP1.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 126482957
methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 122477008
ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
CID 13015593
ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 141485375
methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate
CID 172584056
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142
2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid
CID 20788301
2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide
CID 20788300
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950
methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 67018202
methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 159987848
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate (CID 4275287) is methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate is CCc1sc(C)nc1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is CJZOMPVUWWHPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-4-6-7(8(10)11-3)9-5(2)12-6/h4H2,1-3H3.
What are the key properties of methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 185.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4275287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).