2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole

C10H15NO2S — CID 116782651

IUPAC2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole
SMILESCOC1(c2nc(C)cs2)CCOCC1
InChIInChI=1S/C10H15NO2S/c1-8-7-14-9(11-8)10(12-2)3-5-13-6-4-10/h7H,3-6H2,1-2H3
InChIKeyIEDPNVNFDXLCEM-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.10
Rot. Bonds2

About 2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole

2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole (PubChem CID 116782651) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole
PubChem CID116782651
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole
SMILESCOC1(c2nc(C)cs2)CCOCC1
InChIInChI=1S/C10H15NO2S/c1-8-7-14-9(11-8)10(12-2)3-5-13-6-4-10/h7H,3-6H2,1-2H3
InChIKeyIEDPNVNFDXLCEM-UHFFFAOYSA-N
XLogP2.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole (CID 116782651) is 2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole is COC1(c2nc(C)cs2)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole?
The InChIKey is IEDPNVNFDXLCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8-7-14-9(11-8)10(12-2)3-5-13-6-4-10/h7H,3-6H2,1-2H3.
What are the key properties of 2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole?
2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole has a molecular weight of 213.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 116782651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).