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

C12H19F3N2OS — CID 62778491

IUPAC[4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C12H19F3N2OS/c1-5-17(7-12(13,14)15)10-16-9(11(2,3)4)8(6-18)19-10/h18H,5-7H2,1-4H3
InChIKeyXWRODVAHLOPGTC-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.32
Rot. Bonds4

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

[4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62778491) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is [4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62778491
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC Name[4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C12H19F3N2OS/c1-5-17(7-12(13,14)15)10-16-9(11(2,3)4)8(6-18)19-10/h18H,5-7H2,1-4H3
InChIKeyXWRODVAHLOPGTC-UHFFFAOYSA-N
XLogP3.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 62778491) is [4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of [4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is XWRODVAHLOPGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-5-17(7-12(13,14)15)10-16-9(11(2,3)4)8(6-18)19-10/h18H,5-7H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 296.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).