2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane

C11H17NOS — CID 177229863

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane
SMILESCC.Cc1csc(C2=CCOCC2)n1
InChIInChI=1S/C9H11NOS.C2H6/c1-7-6-12-9(10-7)8-2-4-11-5-3-8;1-2/h2,6H,3-5H2,1H3;1-2H3
InChIKeySIPSYYDYTSTUKJ-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.28
Rot. Bonds1

About 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane

2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane (PubChem CID 177229863) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane
PubChem CID177229863
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane
SMILESCC.Cc1csc(C2=CCOCC2)n1
InChIInChI=1S/C9H11NOS.C2H6/c1-7-6-12-9(10-7)8-2-4-11-5-3-8;1-2/h2,6H,3-5H2,1H3;1-2H3
InChIKeySIPSYYDYTSTUKJ-UHFFFAOYSA-N
XLogP3.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane (CID 177229863) is 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane is CC.Cc1csc(C2=CCOCC2)n1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane?
The InChIKey is SIPSYYDYTSTUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS.C2H6/c1-7-6-12-9(10-7)8-2-4-11-5-3-8;1-2/h2,6H,3-5H2,1H3;1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane?
2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane has a molecular weight of 211.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane is sourced from PubChem (CID 177229863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).