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

C5H4ClF2NOS — CID 107124825

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol
SMILESOC(c1ncc(Cl)s1)C(F)F
InChIInChI=1S/C5H4ClF2NOS/c6-2-1-9-5(11-2)3(10)4(7)8/h1,3-4,10H
InChIKeyICTPUGWZPMAYBO-UHFFFAOYSA-N
MW199.61 g/mol
LogP2.10
Rot. Bonds2

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

1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol (PubChem CID 107124825) has the molecular formula C5H4ClF2NOS and a molecular weight of 199.61 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol
PubChem CID107124825
Molecular FormulaC5H4ClF2NOS
Molecular Weight199.61 g/mol
Exact Mass198.97
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol
SMILESOC(c1ncc(Cl)s1)C(F)F
InChIInChI=1S/C5H4ClF2NOS/c6-2-1-9-5(11-2)3(10)4(7)8/h1,3-4,10H
InChIKeyICTPUGWZPMAYBO-UHFFFAOYSA-N
XLogP2.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.61
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol (CID 107124825) is 1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol is OC(c1ncc(Cl)s1)C(F)F.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol?
The InChIKey is ICTPUGWZPMAYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2NOS/c6-2-1-9-5(11-2)3(10)4(7)8/h1,3-4,10H.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol?
1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol has a molecular weight of 199.61 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol is sourced from PubChem (CID 107124825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).