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

C10H13NO3S — CID 71967385

IUPAC(5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate
SMILESCC1CCC(COC(=O)c2cscn2)O1
InChIInChI=1S/C10H13NO3S/c1-7-2-3-8(14-7)4-13-10(12)9-5-15-6-11-9/h5-8H,2-4H2,1H3
InChIKeyIVKUDILQJHBHRI-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.87
Rot. Bonds3

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

(5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate (PubChem CID 71967385) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate
PubChem CID71967385
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name(5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate
SMILESCC1CCC(COC(=O)c2cscn2)O1
InChIInChI=1S/C10H13NO3S/c1-7-2-3-8(14-7)4-13-10(12)9-5-15-6-11-9/h5-8H,2-4H2,1H3
InChIKeyIVKUDILQJHBHRI-UHFFFAOYSA-N
XLogP1.87
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate?
The IUPAC name of (5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate (CID 71967385) is (5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate.
What is the SMILES notation for (5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate?
The canonical SMILES for (5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate is CC1CCC(COC(=O)c2cscn2)O1.
What is the InChIKey of (5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate?
The InChIKey is IVKUDILQJHBHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7-2-3-8(14-7)4-13-10(12)9-5-15-6-11-9/h5-8H,2-4H2,1H3.
What are the key properties of (5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate?
(5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71967385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).