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

C11H15F3N2OS — CID 62778830

IUPAC[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(CC(F)(F)F)C2CC2)sc1CO
InChIInChI=1S/C11H15F3N2OS/c1-2-8-9(5-17)18-10(15-8)16(7-3-4-7)6-11(12,13)14/h7,17H,2-6H2,1H3
InChIKeyGKXVADMJWYBGFM-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.73
Rot. Bonds5

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

[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol (PubChem CID 62778830) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
PubChem CID62778830
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(CC(F)(F)F)C2CC2)sc1CO
InChIInChI=1S/C11H15F3N2OS/c1-2-8-9(5-17)18-10(15-8)16(7-3-4-7)6-11(12,13)14/h7,17H,2-6H2,1H3
InChIKeyGKXVADMJWYBGFM-UHFFFAOYSA-N
XLogP2.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.73
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-ethyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol (CID 62778830) is [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol is CCc1nc(N(CC(F)(F)F)C2CC2)sc1CO.
What is the InChIKey of [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol?
The InChIKey is GKXVADMJWYBGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-2-8-9(5-17)18-10(15-8)16(7-3-4-7)6-11(12,13)14/h7,17H,2-6H2,1H3.
What are the key properties of [2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol?
[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol has a molecular weight of 280.31 g/mol, XLogP of 2.73, 5 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-ethyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).