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

C9H11F3N2OS — CID 62753683

IUPAC[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)5-14(6-1-2-6)8-13-3-7(4-15)16-8/h3,6,15H,1-2,4-5H2
InChIKeyPNYSECHDRGMRMX-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.17
Rot. Bonds4

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

[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62753683) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62753683
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)5-14(6-1-2-6)8-13-3-7(4-15)16-8/h3,6,15H,1-2,4-5H2
InChIKeyPNYSECHDRGMRMX-UHFFFAOYSA-N
XLogP2.17
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.17
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]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 62753683) is [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is OCc1cnc(N(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is PNYSECHDRGMRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)5-14(6-1-2-6)8-13-3-7(4-15)16-8/h3,6,15H,1-2,4-5H2.
What are the key properties of [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 252.26 g/mol, XLogP of 2.17, 4 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]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62753683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).