1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol

C11H17F3N2OS — CID 62752997

IUPAC1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(CC(F)(F)F)C(C)C)sc1C(C)O
InChIInChI=1S/C11H17F3N2OS/c1-6(2)16(5-11(12,13)14)10-15-7(3)9(18-10)8(4)17/h6,8,17H,5H2,1-4H3
InChIKeyTYJURGNLNYSTFA-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.28
Rot. Bonds4

About 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol

1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 62752997) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID62752997
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(CC(F)(F)F)C(C)C)sc1C(C)O
InChIInChI=1S/C11H17F3N2OS/c1-6(2)16(5-11(12,13)14)10-15-7(3)9(18-10)8(4)17/h6,8,17H,5H2,1-4H3
InChIKeyTYJURGNLNYSTFA-UHFFFAOYSA-N
XLogP3.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol (CID 62752997) is 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol is Cc1nc(N(CC(F)(F)F)C(C)C)sc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is TYJURGNLNYSTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-6(2)16(5-11(12,13)14)10-15-7(3)9(18-10)8(4)17/h6,8,17H,5H2,1-4H3.
What are the key properties of 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 282.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62752997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).