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

C10H15F3N2OS — CID 55112080

IUPAC1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C10H15F3N2OS/c1-6(2)15(5-10(11,12)13)9-14-4-8(17-9)7(3)16/h4,6-7,16H,5H2,1-3H3
InChIKeyTYDIVJOVPWKYCX-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.97
Rot. Bonds4

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

1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 55112080) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID55112080
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C10H15F3N2OS/c1-6(2)15(5-10(11,12)13)9-14-4-8(17-9)7(3)16/h4,6-7,16H,5H2,1-3H3
InChIKeyTYDIVJOVPWKYCX-UHFFFAOYSA-N
XLogP2.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol (CID 55112080) is 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N(CC(F)(F)F)C(C)C)s1.
What is the InChIKey of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is TYDIVJOVPWKYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-6(2)15(5-10(11,12)13)9-14-4-8(17-9)7(3)16/h4,6-7,16H,5H2,1-3H3.
What are the key properties of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 268.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55112080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).