1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol

C10H15F3N2OS — CID 62752654

IUPAC1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCCCN(CC(F)(F)F)c1ncc(C(C)O)s1
InChIInChI=1S/C10H15F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-5-8(17-9)7(2)16/h5,7,16H,3-4,6H2,1-2H3
InChIKeyLMWUPMFZJFPFPF-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.98
Rot. Bonds5

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

1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 62752654) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID62752654
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCCCN(CC(F)(F)F)c1ncc(C(C)O)s1
InChIInChI=1S/C10H15F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-5-8(17-9)7(2)16/h5,7,16H,3-4,6H2,1-2H3
InChIKeyLMWUPMFZJFPFPF-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol (CID 62752654) is 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol is CCCN(CC(F)(F)F)c1ncc(C(C)O)s1.
What is the InChIKey of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is LMWUPMFZJFPFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-5-8(17-9)7(2)16/h5,7,16H,3-4,6H2,1-2H3.
What are the key properties of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 268.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62752654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).