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

C12H17F3N2OS — CID 55117430

IUPAC[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC(F)(F)F)C2CC2)sc1CO
InChIInChI=1S/C12H17F3N2OS/c1-2-3-9-10(6-18)19-11(16-9)17(8-4-5-8)7-12(13,14)15/h8,18H,2-7H2,1H3
InChIKeyKTUWATIYWRZOMZ-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.12
Rot. Bonds6

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

[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 55117430) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID55117430
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC(F)(F)F)C2CC2)sc1CO
InChIInChI=1S/C12H17F3N2OS/c1-2-3-9-10(6-18)19-11(16-9)17(8-4-5-8)7-12(13,14)15/h8,18H,2-7H2,1H3
InChIKeyKTUWATIYWRZOMZ-UHFFFAOYSA-N
XLogP3.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 55117430) is [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(CC(F)(F)F)C2CC2)sc1CO.
What is the InChIKey of [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is KTUWATIYWRZOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-2-3-9-10(6-18)19-11(16-9)17(8-4-5-8)7-12(13,14)15/h8,18H,2-7H2,1H3.
What are the key properties of [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 294.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).