4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole

C9H10ClNOS — CID 170408833

IUPAC4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole
SMILESCc1sc(C2=CCOCC2)nc1Cl
InChIInChI=1S/C9H10ClNOS/c1-6-8(10)11-9(13-6)7-2-4-12-5-3-7/h2H,3-5H2,1H3
InChIKeyQDYNKKOJYVOALC-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.91
Rot. Bonds1

About 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole

4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole (PubChem CID 170408833) has the molecular formula C9H10ClNOS and a molecular weight of 215.70 g/mol. Its IUPAC name is 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole
PubChem CID170408833
Molecular FormulaC9H10ClNOS
Molecular Weight215.70 g/mol
Exact Mass215.02
IUPAC Name4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole
SMILESCc1sc(C2=CCOCC2)nc1Cl
InChIInChI=1S/C9H10ClNOS/c1-6-8(10)11-9(13-6)7-2-4-12-5-3-7/h2H,3-5H2,1H3
InChIKeyQDYNKKOJYVOALC-UHFFFAOYSA-N
XLogP2.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole (CID 170408833) is 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole is Cc1sc(C2=CCOCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole?
The InChIKey is QDYNKKOJYVOALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-6-8(10)11-9(13-6)7-2-4-12-5-3-7/h2H,3-5H2,1H3.
What are the key properties of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole?
4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole has a molecular weight of 215.70 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 170408833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).