N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine

C13H13F4N3S — CID 133338865

IUPACN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCCc1nc(CCNc2c(F)c(F)nc(F)c2F)sc1C
InChIInChI=1S/C13H13F4N3S/c1-3-7-6(2)21-8(19-7)4-5-18-11-9(14)12(16)20-13(17)10(11)15/h3-5H2,1-2H3,(H,18,20)
InChIKeyYULFJMAOSZMVEI-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine

N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 133338865) has the molecular formula C13H13F4N3S and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID133338865
Molecular FormulaC13H13F4N3S
Molecular Weight319.33 g/mol
Exact Mass319.08
IUPAC NameN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCCc1nc(CCNc2c(F)c(F)nc(F)c2F)sc1C
InChIInChI=1S/C13H13F4N3S/c1-3-7-6(2)21-8(19-7)4-5-18-11-9(14)12(16)20-13(17)10(11)15/h3-5H2,1-2H3,(H,18,20)
InChIKeyYULFJMAOSZMVEI-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine (CID 133338865) is N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine is CCc1nc(CCNc2c(F)c(F)nc(F)c2F)sc1C.
What is the InChIKey of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is YULFJMAOSZMVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3S/c1-3-7-6(2)21-8(19-7)4-5-18-11-9(14)12(16)20-13(17)10(11)15/h3-5H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 319.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 133338865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).