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

C5H6ClNOS — CID 84651748

IUPAC1-(4-chloro-1,2-thiazol-5-yl)ethanol
SMILESCC(O)c1sncc1Cl
InChIInChI=1S/C5H6ClNOS/c1-3(8)5-4(6)2-7-9-5/h2-3,8H,1H3
InChIKeyPJPOLLMBQVYHOZ-UHFFFAOYSA-N
MW163.63 g/mol
LogP1.85
Rot. Bonds1

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

1-(4-chloro-1,2-thiazol-5-yl)ethanol (PubChem CID 84651748) has the molecular formula C5H6ClNOS and a molecular weight of 163.63 g/mol. Its IUPAC name is 1-(4-chloro-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1,2-thiazol-5-yl)ethanol
PubChem CID84651748
Molecular FormulaC5H6ClNOS
Molecular Weight163.63 g/mol
Exact Mass162.99
IUPAC Name1-(4-chloro-1,2-thiazol-5-yl)ethanol
SMILESCC(O)c1sncc1Cl
InChIInChI=1S/C5H6ClNOS/c1-3(8)5-4(6)2-7-9-5/h2-3,8H,1H3
InChIKeyPJPOLLMBQVYHOZ-UHFFFAOYSA-N
XLogP1.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.63
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromoisothiazol-5-yl)ethan-1-ol
CID 84675764
1-(4-Methylisothiazol-5-yl)ethan-1-ol
CID 164921472
(4-Chloroisothiazol-5-YL)methanol
CID 84649350
2-(4-Chloro-1,2-thiazol-5-yl)propan-2-ol
CID 84656259
2-Amino-1-(4-chloro-1,2-thiazol-5-yl)ethanol
CID 84656712
2-Amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664427
3-Amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664428
1-(4-Chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol
CID 84664430

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 1-(4-chloro-1,2-thiazol-5-yl)ethanol (CID 84651748) is 1-(4-chloro-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(4-chloro-1,2-thiazol-5-yl)ethanol is CC(O)c1sncc1Cl.
What is the InChIKey of 1-(4-chloro-1,2-thiazol-5-yl)ethanol?
The InChIKey is PJPOLLMBQVYHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNOS/c1-3(8)5-4(6)2-7-9-5/h2-3,8H,1H3.
What are the key properties of 1-(4-chloro-1,2-thiazol-5-yl)ethanol?
1-(4-chloro-1,2-thiazol-5-yl)ethanol has a molecular weight of 163.63 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 84651748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).