2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol

C6H6F3NO2S — CID 119082012

IUPAC2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol
SMILESCc1csc(C(O)(O)C(F)(F)F)n1
InChIInChI=1S/C6H6F3NO2S/c1-3-2-13-4(10-3)5(11,12)6(7,8)9/h2,11-12H,1H3
InChIKeyNHAOCWNEJQKKHQ-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.15
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol

2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol (PubChem CID 119082012) has the molecular formula C6H6F3NO2S and a molecular weight of 213.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol
PubChem CID119082012
Molecular FormulaC6H6F3NO2S
Molecular Weight213.18 g/mol
Exact Mass213.01
IUPAC Name2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol
SMILESCc1csc(C(O)(O)C(F)(F)F)n1
InChIInChI=1S/C6H6F3NO2S/c1-3-2-13-4(10-3)5(11,12)6(7,8)9/h2,11-12H,1H3
InChIKeyNHAOCWNEJQKKHQ-UHFFFAOYSA-N
XLogP1.15
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-ol
CID 15444827
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one
CID 22106690
(4-Methyl-1,3-thiazol-2-yl)methanol
CID 17750909
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
CID 16322147
[2-(Trifluoromethyl)-1,3-thiazol-4-yl]methanol
CID 20079604
(4-(Trifluoromethyl)-1,3-thiazol-2-yl)methanol
CID 23560688
[2-(Difluoromethyl)-1,3-thiazol-4-yl]methanol
CID 89690005
(1R)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-ol
CID 9267875
[2-(1,1-Difluoroethyl)-1,3-thiazol-4-yl]methanol
CID 117590630
(R)-1-(4-Methylthiazol-2-yl)ethanol
CID 92982433
4-(Trifluoromethyl)thiazole-2-carboxylic acid
CID 18673010
2-Ethyl-4-(trifluoromethyl)thiazole
CID 23533397

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol?
The IUPAC name of 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol (CID 119082012) is 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol is Cc1csc(C(O)(O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol?
The InChIKey is NHAOCWNEJQKKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2S/c1-3-2-13-4(10-3)5(11,12)6(7,8)9/h2,11-12H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol?
2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol has a molecular weight of 213.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethane-1,1-diol is sourced from PubChem (CID 119082012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).