4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol

C12H19F3N2OS — CID 106784457

IUPAC4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H19F3N2OS/c1-10(2,3)17-6-5-11(4,18)8-7-16-9(19-8)12(13,14)15/h7,17-18H,5-6H2,1-4H3
InChIKeyCYBZXCHHCHWHJY-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.15
Rot. Bonds4

About 4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol

4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol (PubChem CID 106784457) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
PubChem CID106784457
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC Name4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H19F3N2OS/c1-10(2,3)17-6-5-11(4,18)8-7-16-9(19-8)12(13,14)15/h7,17-18H,5-6H2,1-4H3
InChIKeyCYBZXCHHCHWHJY-UHFFFAOYSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782230
3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106782217
2-(tert-butylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784739
1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782166
N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
CID 106784185
1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106781987
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782345
2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol
CID 106782206
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
(Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
CID 106784479
4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 66002654

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol (CID 106784457) is 4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol is CC(C)(C)NCCC(C)(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
The InChIKey is CYBZXCHHCHWHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-10(2,3)17-6-5-11(4,18)8-7-16-9(19-8)12(13,14)15/h7,17-18H,5-6H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol has a molecular weight of 296.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol is sourced from PubChem (CID 106784457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).