N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine

C16H19N3S — CID 143835707

IUPACN-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1=NCCC(CC(NC2=NCCS2)c2ccccc2)=C1
InChIInChI=1S/C16H19N3S/c1-2-4-14(5-3-1)15(19-16-18-10-11-20-16)12-13-6-8-17-9-7-13/h1-6,8,15H,7,9-12H2,(H,18,19)
InChIKeyMPDFRHZBBYDBFO-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.21
Rot. Bonds4

About N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 143835707) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID143835707
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1=NCCC(CC(NC2=NCCS2)c2ccccc2)=C1
InChIInChI=1S/C16H19N3S/c1-2-4-14(5-3-1)15(19-16-18-10-11-20-16)12-13-6-8-17-9-7-13/h1-6,8,15H,7,9-12H2,(H,18,19)
InChIKeyMPDFRHZBBYDBFO-UHFFFAOYSA-N
XLogP3.21
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 143835707) is N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine is C1=NCCC(CC(NC2=NCCS2)c2ccccc2)=C1.
What is the InChIKey of N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MPDFRHZBBYDBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-4-14(5-3-1)15(19-16-18-10-11-20-16)12-13-6-8-17-9-7-13/h1-6,8,15H,7,9-12H2,(H,18,19).
What are the key properties of N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 285.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 143835707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).