1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine

C12H19F3N2OS — CID 102929566

IUPAC1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCCC(CC)(OC)c1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C12H19F3N2OS/c1-5-11(6-2,18-4)9-17-8(7-19-9)10(3,16)12(13,14)15/h7H,5-6,16H2,1-4H3
InChIKeyQUIOQQUHLFWZCD-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.54
Rot. Bonds5

About 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine

1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 102929566) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID102929566
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC Name1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCCC(CC)(OC)c1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C12H19F3N2OS/c1-5-11(6-2,18-4)9-17-8(7-19-9)10(3,16)12(13,14)15/h7H,5-6,16H2,1-4H3
InChIKeyQUIOQQUHLFWZCD-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine (CID 102929566) is 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine is CCC(CC)(OC)c1nc(C(C)(N)C(F)(F)F)cs1.
What is the InChIKey of 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is QUIOQQUHLFWZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-5-11(6-2,18-4)9-17-8(7-19-9)10(3,16)12(13,14)15/h7H,5-6,16H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine?
1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 296.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 102929566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).