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

C11H17F3N2OS — CID 62778659

IUPAC[2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC)CC(F)(F)F)sc1CO
InChIInChI=1S/C11H17F3N2OS/c1-3-5-8-9(6-17)18-10(15-8)16(4-2)7-11(12,13)14/h17H,3-7H2,1-2H3
InChIKeyWOCLXLCKZWZKPI-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.98
Rot. Bonds6

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

[2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 62778659) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is [2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID62778659
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name[2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC)CC(F)(F)F)sc1CO
InChIInChI=1S/C11H17F3N2OS/c1-3-5-8-9(6-17)18-10(15-8)16(4-2)7-11(12,13)14/h17H,3-7H2,1-2H3
InChIKeyWOCLXLCKZWZKPI-UHFFFAOYSA-N
XLogP2.98
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 62778659) is [2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(CC)CC(F)(F)F)sc1CO.
What is the InChIKey of [2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is WOCLXLCKZWZKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-3-5-8-9(6-17)18-10(15-8)16(4-2)7-11(12,13)14/h17H,3-7H2,1-2H3.
What are the key properties of [2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 282.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).