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

C9H11NOS — CID 177229864

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2=CCOCC2)n1
InChIInChI=1S/C9H11NOS/c1-7-6-12-9(10-7)8-2-4-11-5-3-8/h2,6H,3-5H2,1H3
InChIKeyMBISIBQJVDEFEW-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.26
Rot. Bonds1

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

2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole (PubChem CID 177229864) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole
PubChem CID177229864
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2=CCOCC2)n1
InChIInChI=1S/C9H11NOS/c1-7-6-12-9(10-7)8-2-4-11-5-3-8/h2,6H,3-5H2,1H3
InChIKeyMBISIBQJVDEFEW-UHFFFAOYSA-N
XLogP2.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.26
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?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole (CID 177229864) is 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole is Cc1csc(C2=CCOCC2)n1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole?
The InChIKey is MBISIBQJVDEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-7-6-12-9(10-7)8-2-4-11-5-3-8/h2,6H,3-5H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole?
2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole has a molecular weight of 181.26 g/mol, XLogP of 2.26, 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 is sourced from PubChem (CID 177229864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).