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

C10H15F3N2OS — CID 55117384

IUPAC[4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(CC)CC(F)(F)F)sc1CO
InChIInChI=1S/C10H15F3N2OS/c1-3-7-8(5-16)17-9(14-7)15(4-2)6-10(11,12)13/h16H,3-6H2,1-2H3
InChIKeyMJANQENXCBPDQW-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.59
Rot. Bonds5

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

[4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 55117384) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is [4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID55117384
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name[4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(CC)CC(F)(F)F)sc1CO
InChIInChI=1S/C10H15F3N2OS/c1-3-7-8(5-16)17-9(14-7)15(4-2)6-10(11,12)13/h16H,3-6H2,1-2H3
InChIKeyMJANQENXCBPDQW-UHFFFAOYSA-N
XLogP2.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 55117384) is [4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CCc1nc(N(CC)CC(F)(F)F)sc1CO.
What is the InChIKey of [4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is MJANQENXCBPDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-3-7-8(5-16)17-9(14-7)15(4-2)6-10(11,12)13/h16H,3-6H2,1-2H3.
What are the key properties of [4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 268.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).