ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate

C8H13NO2S — CID 174900569

IUPACethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)C1(C)SC=CN1C
InChIInChI=1S/C8H13NO2S/c1-4-11-7(10)8(2)9(3)5-6-12-8/h5-6H,4H2,1-3H3
InChIKeyCBOVKSUDRBRZJK-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.42
Rot. Bonds2

About ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate

ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate (PubChem CID 174900569) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate
PubChem CID174900569
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Nameethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)C1(C)SC=CN1C
InChIInChI=1S/C8H13NO2S/c1-4-11-7(10)8(2)9(3)5-6-12-8/h5-6H,4H2,1-3H3
InChIKeyCBOVKSUDRBRZJK-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Delta4-Thiazolin-3-yl-essigsaureathylester
CID 129630105
Ukcfsolmckxvld-uhfffaoysa-
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methyl 2-(2H-1,3-thiazol-3-yl)acetate
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ethyl 2-(2H-1,3-thiazol-3-yl)propanoate
CID 140108167
Ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate
CID 151917928
methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide
CID 173084083
2-(2H-1,3-thiazol-3-yl)ethyl acetate
CID 174286434
Ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312394
Propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312788
Butyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312789
Propyl 2-(3-oxo-1,4-thiazin-4-yl)propanoate
CID 84405876

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate (CID 174900569) is ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate is CCOC(=O)C1(C)SC=CN1C.
What is the InChIKey of ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate?
The InChIKey is CBOVKSUDRBRZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-4-11-7(10)8(2)9(3)5-6-12-8/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate?
ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate has a molecular weight of 187.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 174900569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).