1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C12H18F3NO2S — CID 103216992

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCC(C)(C)c1csc(CC(O)COCC(F)(F)F)n1
InChIInChI=1S/C12H18F3NO2S/c1-11(2,3)9-6-19-10(16-9)4-8(17)5-18-7-12(13,14)15/h6,8,17H,4-5,7H2,1-3H3
InChIKeyLDAMQZWOCUKOKJ-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 103216992) has the molecular formula C12H18F3NO2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID103216992
Molecular FormulaC12H18F3NO2S
Molecular Weight297.34 g/mol
Exact Mass297.10
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCC(C)(C)c1csc(CC(O)COCC(F)(F)F)n1
InChIInChI=1S/C12H18F3NO2S/c1-11(2,3)9-6-19-10(16-9)4-8(17)5-18-7-12(13,14)15/h6,8,17H,4-5,7H2,1-3H3
InChIKeyLDAMQZWOCUKOKJ-UHFFFAOYSA-N
XLogP2.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 104932543
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol
CID 105115643
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214275
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79819728
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
CID 79819859
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol
CID 116752722
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylsulfanylpropan-2-ol
CID 79820349
4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol
CID 114163592

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 103216992) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is CC(C)(C)c1csc(CC(O)COCC(F)(F)F)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is LDAMQZWOCUKOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2S/c1-11(2,3)9-6-19-10(16-9)4-8(17)5-18-7-12(13,14)15/h6,8,17H,4-5,7H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 297.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 103216992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).