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

C11H17F3N2OS — CID 79400563

IUPAC[2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N(C)CCC(F)(F)F)sc1CO
InChIInChI=1S/C11H17F3N2OS/c1-7(2)9-8(6-17)18-10(15-9)16(3)5-4-11(12,13)14/h7,17H,4-6H2,1-3H3
InChIKeyGVKUWYZZSGMFIY-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.15
Rot. Bonds5

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

[2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79400563) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is [2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79400563
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name[2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N(C)CCC(F)(F)F)sc1CO
InChIInChI=1S/C11H17F3N2OS/c1-7(2)9-8(6-17)18-10(15-9)16(3)5-4-11(12,13)14/h7,17H,4-6H2,1-3H3
InChIKeyGVKUWYZZSGMFIY-UHFFFAOYSA-N
XLogP3.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79400563) is [2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(N(C)CCC(F)(F)F)sc1CO.
What is the InChIKey of [2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is GVKUWYZZSGMFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-7(2)9-8(6-17)18-10(15-9)16(3)5-4-11(12,13)14/h7,17H,4-6H2,1-3H3.
What are the key properties of [2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 282.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79400563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).