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

C9H11NO3S — CID 80572730

IUPACmethyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C9H11NO3S/c1-12-9(11)7-5-10-8(14-7)6-3-2-4-13-6/h5-6H,2-4H2,1H3
InChIKeyVLWSUJUHYOQVNH-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.78
Rot. Bonds2

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

Methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80572730) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound NameMethyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID80572730
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C9H11NO3S/c1-12-9(11)7-5-10-8(14-7)6-3-2-4-13-6/h5-6H,2-4H2,1H3
InChIKeyVLWSUJUHYOQVNH-UHFFFAOYSA-N
XLogP1.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of Methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate (CID 80572730) is methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for Methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for Methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(C2CCCO2)s1.
What is the InChIKey of Methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is VLWSUJUHYOQVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-12-9(11)7-5-10-8(14-7)6-3-2-4-13-6/h5-6H,2-4H2,1H3.
What are the key properties of Methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
Methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 213.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).