methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate

C10H13NO3S — CID 115327935

IUPACmethyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C2CCCO2)nc1C
InChIInChI=1S/C10H13NO3S/c1-6-8(10(12)13-2)15-9(11-6)7-4-3-5-14-7/h7H,3-5H2,1-2H3
InChIKeyKOXZLZSAFUDOQU-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.09
Rot. Bonds2

About methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 115327935) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID115327935
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Namemethyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C2CCCO2)nc1C
InChIInChI=1S/C10H13NO3S/c1-6-8(10(12)13-2)15-9(11-6)7-4-3-5-14-7/h7H,3-5H2,1-2H3
InChIKeyKOXZLZSAFUDOQU-UHFFFAOYSA-N
XLogP2.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone
CID 82439059
N-methyl-1-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 65328159
2,4-dimethyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 16644303
4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole-5-carbothioamide
CID 82440935
methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 114106954
methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate
CID 103595057
5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103199815
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
4-methyl-2-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 176654966
2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole
CID 58853375
methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate
CID 70098790

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate (CID 115327935) is methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(C2CCCO2)nc1C.
What is the InChIKey of methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is KOXZLZSAFUDOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-6-8(10(12)13-2)15-9(11-6)7-4-3-5-14-7/h7H,3-5H2,1-2H3.
What are the key properties of methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 115327935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).