1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol

C10H14ClNO2S — CID 107124806

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)c1ncc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c11-9-6-12-10(15-9)8(13)5-7-1-3-14-4-2-7/h6-8,13H,1-5H2
InChIKeyGINNCZLXLSWBLH-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.65
Rot. Bonds3

About 1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol

1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol (PubChem CID 107124806) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol
PubChem CID107124806
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)c1ncc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c11-9-6-12-10(15-9)8(13)5-7-1-3-14-4-2-7/h6-8,13H,1-5H2
InChIKeyGINNCZLXLSWBLH-UHFFFAOYSA-N
XLogP2.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol (CID 107124806) is 1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol is OC(CC1CCOCC1)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol?
The InChIKey is GINNCZLXLSWBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c11-9-6-12-10(15-9)8(13)5-7-1-3-14-4-2-7/h6-8,13H,1-5H2.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol?
1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol has a molecular weight of 247.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 107124806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).