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

C8H8ClNOS — CID 177229894

IUPAC4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole
SMILESClc1csc(C2=CCOCC2)n1
InChIInChI=1S/C8H8ClNOS/c9-7-5-12-8(10-7)6-1-3-11-4-2-6/h1,5H,2-4H2
InChIKeyXZAHJQAOQCPXNM-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.60
Rot. Bonds1

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

4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole (PubChem CID 177229894) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole
PubChem CID177229894
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole
SMILESClc1csc(C2=CCOCC2)n1
InChIInChI=1S/C8H8ClNOS/c9-7-5-12-8(10-7)6-1-3-11-4-2-6/h1,5H,2-4H2
InChIKeyXZAHJQAOQCPXNM-UHFFFAOYSA-N
XLogP2.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.60
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)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole (CID 177229894) is 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole is Clc1csc(C2=CCOCC2)n1.
What is the InChIKey of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole?
The InChIKey is XZAHJQAOQCPXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-7-5-12-8(10-7)6-1-3-11-4-2-6/h1,5H,2-4H2.
What are the key properties of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole?
4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole has a molecular weight of 201.68 g/mol, XLogP of 2.60, 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)-1,3-thiazole is sourced from PubChem (CID 177229894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).