5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine

C16H19N3S — CID 14839517

IUPAC5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CCN2CC=C(c3ccccc3)CC2)s1
InChIInChI=1S/C16H19N3S/c17-16-18-12-15(20-16)8-11-19-9-6-14(7-10-19)13-4-2-1-3-5-13/h1-6,12H,7-11H2,(H2,17,18)
InChIKeyFYOWZAOJDSENAN-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.06
Rot. Bonds4

About 5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine

5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 14839517) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID14839517
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CCN2CC=C(c3ccccc3)CC2)s1
InChIInChI=1S/C16H19N3S/c17-16-18-12-15(20-16)8-11-19-9-6-14(7-10-19)13-4-2-1-3-5-13/h1-6,12H,7-11H2,(H2,17,18)
InChIKeyFYOWZAOJDSENAN-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine (CID 14839517) is 5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine is Nc1ncc(CCN2CC=C(c3ccccc3)CC2)s1.
What is the InChIKey of 5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is FYOWZAOJDSENAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c17-16-18-12-15(20-16)8-11-19-9-6-14(7-10-19)13-4-2-1-3-5-13/h1-6,12H,7-11H2,(H2,17,18).
What are the key properties of 5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine?
5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 285.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 14839517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).