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

C8H11NO2S — CID 22934862

IUPACethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C)c(C)s1
InChIInChI=1S/C8H11NO2S/c1-4-11-8(10)7-9-5(2)6(3)12-7/h4H2,1-3H3
InChIKeySDDWDLQDWDNKSS-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.94
Rot. Bonds2

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

ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate (PubChem CID 22934862) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate
PubChem CID22934862
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Nameethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C)c(C)s1
InChIInChI=1S/C8H11NO2S/c1-4-11-8(10)7-9-5(2)6(3)12-7/h4H2,1-3H3
InChIKeySDDWDLQDWDNKSS-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl-1,3-thiazole-2-carboxylic acid
CID 21505510
Ethyl 2-(dimethyl-1,3-thiazol-2-YL)acetate
CID 60675946
2-(Methoxymethyl)-4,5-dimethyl-1,3-thiazole
CID 45121866
Ethyl 4-fluoro-5-methyl-1,3-thiazole-2-carboxylate
CID 141734628
Ethyl 2,5-dimethylthiazole-4-carboxylate
CID 15093941
(2-Methoxy-5-methyl-1,3-thiazol-4-yl)methyl acetate
CID 134971703
5-(Fluoromethyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 84766828
5-(Difluoromethyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 84772558
4-(Difluoromethyl)-5-methyl-1,3-thiazole-2-carboxylic acid
CID 137938101
3-Ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-carboxylate
CID 13529691
3-Ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-carboxylic acid
CID 13529692
Methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
CID 14245639

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate (CID 22934862) is ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C)c(C)s1.
What is the InChIKey of ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate?
The InChIKey is SDDWDLQDWDNKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-4-11-8(10)7-9-5(2)6(3)12-7/h4H2,1-3H3.
What are the key properties of ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate?
ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate has a molecular weight of 185.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 22934862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).