N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine

C15H18F3N3S — CID 75427996

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine
SMILESCc1nc(C)c(CCNC(Cc2ccncc2)C(F)(F)F)s1
InChIInChI=1S/C15H18F3N3S/c1-10-13(22-11(2)21-10)5-8-20-14(15(16,17)18)9-12-3-6-19-7-4-12/h3-4,6-7,14,20H,5,8-9H2,1-2H3
InChIKeyJFJDJWMWJRXEJW-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine (PubChem CID 75427996) has the molecular formula C15H18F3N3S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine
PubChem CID75427996
Molecular FormulaC15H18F3N3S
Molecular Weight329.39 g/mol
Exact Mass329.12
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine
SMILESCc1nc(C)c(CCNC(Cc2ccncc2)C(F)(F)F)s1
InChIInChI=1S/C15H18F3N3S/c1-10-13(22-11(2)21-10)5-8-20-14(15(16,17)18)9-12-3-6-19-7-4-12/h3-4,6-7,14,20H,5,8-9H2,1-2H3
InChIKeyJFJDJWMWJRXEJW-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine (CID 75427996) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine is Cc1nc(C)c(CCNC(Cc2ccncc2)C(F)(F)F)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine?
The InChIKey is JFJDJWMWJRXEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3S/c1-10-13(22-11(2)21-10)5-8-20-14(15(16,17)18)9-12-3-6-19-7-4-12/h3-4,6-7,14,20H,5,8-9H2,1-2H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine has a molecular weight of 329.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 75427996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).