1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol

C5H3ClF3NOS — CID 67401954

IUPAC1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cnc(Cl)s1)C(F)(F)F
InChIInChI=1S/C5H3ClF3NOS/c6-4-10-1-2(12-4)3(11)5(7,8)9/h1,3,11H
InChIKeyKRYDIZKPXJUBAV-UHFFFAOYSA-N
MW217.60 g/mol
LogP2.39
Rot. Bonds1

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

1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol (PubChem CID 67401954) has the molecular formula C5H3ClF3NOS and a molecular weight of 217.60 g/mol. Its IUPAC name is 1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol
PubChem CID67401954
Molecular FormulaC5H3ClF3NOS
Molecular Weight217.60 g/mol
Exact Mass216.96
IUPAC Name1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cnc(Cl)s1)C(F)(F)F
InChIInChI=1S/C5H3ClF3NOS/c6-4-10-1-2(12-4)3(11)5(7,8)9/h1,3,11H
InChIKeyKRYDIZKPXJUBAV-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.60
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-(Trifluoromethyl)-1,3-thiazol-5-yl)methanol
CID 15171127
(1R)-1-(1,3-thiazol-5-yl)ethan-1-ol
CID 54594041
2-(2-Bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 86638585
[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanol
CID 165945081
[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]methanol
CID 155943682
(1R)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165633553
(1S)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165639952
1-(2-Chloro-thiazol-5-yl)-ethanol
CID 68056647
(2-Chloro-1,3-thiazol-5-yl)methanol
CID 2763180
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]prop-2-yn-1-ol
CID 53699018
Chloro-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methanol
CID 53746070
5-Thiazolemethanol, 2-methyl-alpha-(trifluoromethyl)-
CID 57620095

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol (CID 67401954) is 1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol is OC(c1cnc(Cl)s1)C(F)(F)F.
What is the InChIKey of 1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol?
The InChIKey is KRYDIZKPXJUBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3NOS/c6-4-10-1-2(12-4)3(11)5(7,8)9/h1,3,11H.
What are the key properties of 1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol?
1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol has a molecular weight of 217.60 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 67401954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).