4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole

C10H15NO3S — CID 66056930

IUPAC4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole
SMILESCOC(OC)c1csc(C2CCCO2)n1
InChIInChI=1S/C10H15NO3S/c1-12-10(13-2)7-6-15-9(11-7)8-4-3-5-14-8/h6,8,10H,3-5H2,1-2H3
InChIKeyDQBHZYSOGQRMMH-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.29
Rot. Bonds4

About 4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole

4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole (PubChem CID 66056930) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole
PubChem CID66056930
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole
SMILESCOC(OC)c1csc(C2CCCO2)n1
InChIInChI=1S/C10H15NO3S/c1-12-10(13-2)7-6-15-9(11-7)8-4-3-5-14-8/h6,8,10H,3-5H2,1-2H3
InChIKeyDQBHZYSOGQRMMH-UHFFFAOYSA-N
XLogP2.29
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole (CID 66056930) is 4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole is COC(OC)c1csc(C2CCCO2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole?
The InChIKey is DQBHZYSOGQRMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-12-10(13-2)7-6-15-9(11-7)8-4-3-5-14-8/h6,8,10H,3-5H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole has a molecular weight of 229.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 66056930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).