2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine

C13H21F3N2OS — CID 102929520

IUPAC2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCOC(CC)(CC)c1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C13H21F3N2OS/c1-5-12(6-2,19-7-3)10-18-9(8-20-10)11(4,17)13(14,15)16/h8H,5-7,17H2,1-4H3
InChIKeyWIAVRIOSGNMCGC-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.93
Rot. Bonds6

About 2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine

2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine (PubChem CID 102929520) has the molecular formula C13H21F3N2OS and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
PubChem CID102929520
Molecular FormulaC13H21F3N2OS
Molecular Weight310.39 g/mol
Exact Mass310.13
IUPAC Name2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCOC(CC)(CC)c1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C13H21F3N2OS/c1-5-12(6-2,19-7-3)10-18-9(8-20-10)11(4,17)13(14,15)16/h8H,5-7,17H2,1-4H3
InChIKeyWIAVRIOSGNMCGC-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine (CID 102929520) is 2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine is CCOC(CC)(CC)c1nc(C(C)(N)C(F)(F)F)cs1.
What is the InChIKey of 2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is WIAVRIOSGNMCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2OS/c1-5-12(6-2,19-7-3)10-18-9(8-20-10)11(4,17)13(14,15)16/h8H,5-7,17H2,1-4H3.
What are the key properties of 2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine?
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 310.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 102929520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).