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

C5H6ClNOS — CID 118508131

IUPAC(1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol
SMILESC[C@H](O)c1cc(Cl)ns1
InChIInChI=1S/C5H6ClNOS/c1-3(8)4-2-5(6)7-9-4/h2-3,8H,1H3/t3-/m0/s1
InChIKeyRKJDFCDMNOHCJW-VKHMYHEASA-N
MW163.63 g/mol
LogP1.85
Rot. Bonds1

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

(1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol (PubChem CID 118508131) has the molecular formula C5H6ClNOS and a molecular weight of 163.63 g/mol. Its IUPAC name is (1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol
PubChem CID118508131
Molecular FormulaC5H6ClNOS
Molecular Weight163.63 g/mol
Exact Mass162.99
IUPAC Name(1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol
SMILESC[C@H](O)c1cc(Cl)ns1
InChIInChI=1S/C5H6ClNOS/c1-3(8)4-2-5(6)7-9-4/h2-3,8H,1H3/t3-/m0/s1
InChIKeyRKJDFCDMNOHCJW-VKHMYHEASA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol?
The IUPAC name of (1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol (CID 118508131) is (1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for (1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for (1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol is C[C@H](O)c1cc(Cl)ns1.
What is the InChIKey of (1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol?
The InChIKey is RKJDFCDMNOHCJW-VKHMYHEASA-N. The full InChI is InChI=1S/C5H6ClNOS/c1-3(8)4-2-5(6)7-9-4/h2-3,8H,1H3/t3-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol?
(1S)-1-(3-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 (1S)-1-(3-chloro-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 118508131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).