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

C10H14ClNOS — CID 177229893

IUPAC4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane
SMILESCC.Clc1csc(C2=CCOCC2)n1
InChIInChI=1S/C8H8ClNOS.C2H6/c9-7-5-12-8(10-7)6-1-3-11-4-2-6;1-2/h1,5H,2-4H2;1-2H3
InChIKeyYTRXBSRAQLSUKC-UHFFFAOYSA-N
MW231.75 g/mol
LogP3.63
Rot. Bonds1

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

4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane (PubChem CID 177229893) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane.

Molecular Properties

Compound Name4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane
PubChem CID177229893
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane
SMILESCC.Clc1csc(C2=CCOCC2)n1
InChIInChI=1S/C8H8ClNOS.C2H6/c9-7-5-12-8(10-7)6-1-3-11-4-2-6;1-2/h1,5H,2-4H2;1-2H3
InChIKeyYTRXBSRAQLSUKC-UHFFFAOYSA-N
XLogP3.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-1,3-thiazole
CID 170408833
2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole;ethane
CID 177229863
2-(3,6-dihydro-2H-pyran-4-yl)-4-methyl-1,3-thiazole
CID 177229864
4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole
CID 177229894

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane?
The IUPAC name of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane (CID 177229893) is 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane.
What is the SMILES notation for 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane?
The canonical SMILES for 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane is CC.Clc1csc(C2=CCOCC2)n1.
What is the InChIKey of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane?
The InChIKey is YTRXBSRAQLSUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS.C2H6/c9-7-5-12-8(10-7)6-1-3-11-4-2-6;1-2/h1,5H,2-4H2;1-2H3.
What are the key properties of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane?
4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazole;ethane has a molecular weight of 231.75 g/mol, XLogP of 3.63, 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;ethane is sourced from PubChem (CID 177229893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).