1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol

C12H11ClFNOS — CID 112642524

IUPAC1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(Cc1cncs1)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H11ClFNOS/c13-11-2-1-3-12(14)10(11)5-8(16)4-9-6-15-7-17-9/h1-3,6-8,16H,4-5H2
InChIKeyIMMGRZLYKRDKCQ-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol

1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 112642524) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID112642524
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(Cc1cncs1)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H11ClFNOS/c13-11-2-1-3-12(14)10(11)5-8(16)4-9-6-15-7-17-9/h1-3,6-8,16H,4-5H2
InChIKeyIMMGRZLYKRDKCQ-UHFFFAOYSA-N
XLogP3.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642505
1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642497
1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830518
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642484
2-(2-chloro-6-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanol
CID 79691005
1-(2-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641866
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol
CID 55144841
4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
CID 82078369
1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 105123232
2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol
CID 63939585
2-(2-chloro-6-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 61087611

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol (CID 112642524) is 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol is OC(Cc1cncs1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is IMMGRZLYKRDKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c13-11-2-1-3-12(14)10(11)5-8(16)4-9-6-15-7-17-9/h1-3,6-8,16H,4-5H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 271.74 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 112642524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).