1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol

C7H8F3NOS — CID 22106675

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol
SMILESCc1nc(C(O)C(F)(F)F)sc1C
InChIInChI=1S/C7H8F3NOS/c1-3-4(2)13-6(11-3)5(12)7(8,9)10/h5,12H,1-2H3
InChIKeyCDKOMTHQLLYIMO-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.36
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol (PubChem CID 22106675) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol
PubChem CID22106675
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol
SMILESCc1nc(C(O)C(F)(F)F)sc1C
InChIInChI=1S/C7H8F3NOS/c1-3-4(2)13-6(11-3)5(12)7(8,9)10/h5,12H,1-2H3
InChIKeyCDKOMTHQLLYIMO-UHFFFAOYSA-N
XLogP2.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol (CID 22106675) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol is Cc1nc(C(O)C(F)(F)F)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is CDKOMTHQLLYIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-3-4(2)13-6(11-3)5(12)7(8,9)10/h5,12H,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 211.21 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 22106675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).