1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine

C14H24N4S — CID 81206031

IUPAC1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(N2CCC3C(CCCN3C)C2)n1
InChIInChI=1S/C14H24N4S/c1-10(15)12-9-19-14(16-12)18-7-5-13-11(8-18)4-3-6-17(13)2/h9-11,13H,3-8,15H2,1-2H3
InChIKeyDTGQRSDGDNACFV-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.08
Rot. Bonds2

About 1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine

1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 81206031) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID81206031
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(N2CCC3C(CCCN3C)C2)n1
InChIInChI=1S/C14H24N4S/c1-10(15)12-9-19-14(16-12)18-7-5-13-11(8-18)4-3-6-17(13)2/h9-11,13H,3-8,15H2,1-2H3
InChIKeyDTGQRSDGDNACFV-UHFFFAOYSA-N
XLogP2.08
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine (CID 81206031) is 1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(N2CCC3C(CCCN3C)C2)n1.
What is the InChIKey of 1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is DTGQRSDGDNACFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10(15)12-9-19-14(16-12)18-7-5-13-11(8-18)4-3-6-17(13)2/h9-11,13H,3-8,15H2,1-2H3.
What are the key properties of 1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 280.44 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 81206031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).