2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol

C8H10F3NOS — CID 118545266

IUPAC2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(C(F)(F)F)c(C(C)(C)O)s1
InChIInChI=1S/C8H10F3NOS/c1-4-12-5(8(9,10)11)6(14-4)7(2,3)13/h13H,1-3H3
InChIKeyRYRQHKNJLFDIHZ-UHFFFAOYSA-N
MW225.23 g/mol
LogP2.70
Rot. Bonds1

About 2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol

2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 118545266) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID118545266
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(C(F)(F)F)c(C(C)(C)O)s1
InChIInChI=1S/C8H10F3NOS/c1-4-12-5(8(9,10)11)6(14-4)7(2,3)13/h13H,1-3H3
InChIKeyRYRQHKNJLFDIHZ-UHFFFAOYSA-N
XLogP2.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol (CID 118545266) is 2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol is Cc1nc(C(F)(F)F)c(C(C)(C)O)s1.
What is the InChIKey of 2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is RYRQHKNJLFDIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-4-12-5(8(9,10)11)6(14-4)7(2,3)13/h13H,1-3H3.
What are the key properties of 2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 225.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 118545266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).