[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol

C6H7F2NOS — CID 155943682

IUPAC[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol
SMILESCC(F)(F)c1ncc(CO)s1
InChIInChI=1S/C6H7F2NOS/c1-6(7,8)5-9-2-4(3-10)11-5/h2,10H,3H2,1H3
InChIKeyBJJIRUGUVHWOKD-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.75
Rot. Bonds2

About [2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol

[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 155943682) has the molecular formula C6H7F2NOS and a molecular weight of 179.19 g/mol. Its IUPAC name is [2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol
PubChem CID155943682
Molecular FormulaC6H7F2NOS
Molecular Weight179.19 g/mol
Exact Mass179.02
IUPAC Name[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol
SMILESCC(F)(F)c1ncc(CO)s1
InChIInChI=1S/C6H7F2NOS/c1-6(7,8)5-9-2-4(3-10)11-5/h2,10H,3H2,1H3
InChIKeyBJJIRUGUVHWOKD-UHFFFAOYSA-N
XLogP1.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Thiazolylmethanol
CID 2763216
(2-(Methoxymethyl)-1,3-thiazol-5-yl)methanol
CID 64980908
(2-Bromo-1,3-thiazol-5-yl)methanol
CID 7213124
(2-Isopropylthiazol-5-yl)methanol
CID 10820831
(2-Methyl-1,3-thiazol-5-yl)methanol
CID 12808792
(2-(Trifluoromethyl)-1,3-thiazol-5-yl)methanol
CID 15171127
(2-Ethyl-1,3-thiazol-5-yl)methanol
CID 21408258
(1R)-1-(1,3-thiazol-5-yl)ethan-1-ol
CID 54594041
2-Thiazolemethanol, 5-(trifluoromethyl)-
CID 86767892
[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanol
CID 165945081
(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

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol (CID 155943682) is [2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol is CC(F)(F)c1ncc(CO)s1.
What is the InChIKey of [2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is BJJIRUGUVHWOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NOS/c1-6(7,8)5-9-2-4(3-10)11-5/h2,10H,3H2,1H3.
What are the key properties of [2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol?
[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 179.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 155943682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).