Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate

C10H13NO3S — CID 80572386

IUPACmethyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2(C)CCCO2)s1
InChIInChI=1S/C10H13NO3S/c1-10(4-3-5-14-10)9-11-6-7(15-9)8(12)13-2/h6H,3-5H2,1-2H3
InChIKeyDLOPUWFSVYYZNK-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.96
Rot. Bonds2

About Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate

Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80572386) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound NameMethyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID80572386
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Namemethyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2(C)CCCO2)s1
InChIInChI=1S/C10H13NO3S/c1-10(4-3-5-14-10)9-11-6-7(15-9)8(12)13-2/h6H,3-5H2,1-2H3
InChIKeyDLOPUWFSVYYZNK-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate (CID 80572386) is methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(C2(C)CCCO2)s1.
What is the InChIKey of Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is DLOPUWFSVYYZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-10(4-3-5-14-10)9-11-6-7(15-9)8(12)13-2/h6H,3-5H2,1-2H3.
What are the key properties of Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate?
Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).