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

C11H15F3N2OS — CID 62753516

IUPAC1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(CC(F)(F)F)C2CC2)sc1C(C)O
InChIInChI=1S/C11H15F3N2OS/c1-6-9(7(2)17)18-10(15-6)16(8-3-4-8)5-11(12,13)14/h7-8,17H,3-5H2,1-2H3
InChIKeyQFTWDTGAXVJZSY-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.04
Rot. Bonds4

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

1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 62753516) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID62753516
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(CC(F)(F)F)C2CC2)sc1C(C)O
InChIInChI=1S/C11H15F3N2OS/c1-6-9(7(2)17)18-10(15-6)16(8-3-4-8)5-11(12,13)14/h7-8,17H,3-5H2,1-2H3
InChIKeyQFTWDTGAXVJZSY-UHFFFAOYSA-N
XLogP3.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol (CID 62753516) is 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(N(CC(F)(F)F)C2CC2)sc1C(C)O.
What is the InChIKey of 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is QFTWDTGAXVJZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-6-9(7(2)17)18-10(15-6)16(8-3-4-8)5-11(12,13)14/h7-8,17H,3-5H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 280.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62753516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).