N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine

C12H19F3N2S — CID 106784183

IUPACN-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
SMILESCCCNC(C)CC(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H19F3N2S/c1-4-5-16-9(3)6-8(2)10-7-17-11(18-10)12(13,14)15/h7-9,16H,4-6H2,1-3H3
InChIKeyZOGUEZZZKSFVHQ-UHFFFAOYSA-N
MW280.36 g/mol
LogP4.04
Rot. Bonds6

About N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine

N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine (PubChem CID 106784183) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
PubChem CID106784183
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC NameN-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
SMILESCCCNC(C)CC(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H19F3N2S/c1-4-5-16-9(3)6-8(2)10-7-17-11(18-10)12(13,14)15/h7-9,16H,4-6H2,1-3H3
InChIKeyZOGUEZZZKSFVHQ-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine?
The IUPAC name of N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine (CID 106784183) is N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine is CCCNC(C)CC(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine?
The InChIKey is ZOGUEZZZKSFVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-4-5-16-9(3)6-8(2)10-7-17-11(18-10)12(13,14)15/h7-9,16H,4-6H2,1-3H3.
What are the key properties of N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine?
N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine has a molecular weight of 280.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 106784183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).