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

C9H13F3N2OS — CID 62752987

IUPAC1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)CC(F)(F)F)sc1C(C)O
InChIInChI=1S/C9H13F3N2OS/c1-5-7(6(2)15)16-8(13-5)14(3)4-9(10,11)12/h6,15H,4H2,1-3H3
InChIKeyCPWFLFRCSAFSFP-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.50
Rot. Bonds3

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

1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 62752987) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID62752987
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)CC(F)(F)F)sc1C(C)O
InChIInChI=1S/C9H13F3N2OS/c1-5-7(6(2)15)16-8(13-5)14(3)4-9(10,11)12/h6,15H,4H2,1-3H3
InChIKeyCPWFLFRCSAFSFP-UHFFFAOYSA-N
XLogP2.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.50
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-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol (CID 62752987) is 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol is Cc1nc(N(C)CC(F)(F)F)sc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is CPWFLFRCSAFSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-5-7(6(2)15)16-8(13-5)14(3)4-9(10,11)12/h6,15H,4H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 254.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62752987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).