3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol

C11H17F3N2OS — CID 83959766

IUPAC3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
SMILESCC(C)c1nc(C(F)(F)F)sc1CNCCCO
InChIInChI=1S/C11H17F3N2OS/c1-7(2)9-8(6-15-4-3-5-17)18-10(16-9)11(12,13)14/h7,15,17H,3-6H2,1-2H3
InChIKeyGIGPMONHOCOLGV-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.76
Rot. Bonds6

About 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol

3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol (PubChem CID 83959766) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
PubChem CID83959766
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
SMILESCC(C)c1nc(C(F)(F)F)sc1CNCCCO
InChIInChI=1S/C11H17F3N2OS/c1-7(2)9-8(6-15-4-3-5-17)18-10(16-9)11(12,13)14/h7,15,17H,3-6H2,1-2H3
InChIKeyGIGPMONHOCOLGV-UHFFFAOYSA-N
XLogP2.76
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol with MolForge

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Related Compounds

3-[[4-(4-fluorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 83959728
N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365238
N-[[2,4-di(propan-2-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82433663
N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82433713
N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 83959800
N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79395623
4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 114365185
N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79382866
N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365128
N-[[4-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150625
N-[[2-(tert-butylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365285
N-[[2-(ethoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365231

Frequently Asked Questions

What is the IUPAC name of 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The IUPAC name of 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol (CID 83959766) is 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol is CC(C)c1nc(C(F)(F)F)sc1CNCCCO.
What is the InChIKey of 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The InChIKey is GIGPMONHOCOLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-7(2)9-8(6-15-4-3-5-17)18-10(16-9)11(12,13)14/h7,15,17H,3-6H2,1-2H3.
What are the key properties of 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol has a molecular weight of 282.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol is sourced from PubChem (CID 83959766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).