(3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine

C21H20N6S — CID 58387599

IUPAC(3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc3cnc(-c4cccc(-c5nccs5)n4)cc23)C1
InChIInChI=1S/C21H20N6S/c22-14-3-2-9-27(13-14)20-6-7-23-19-12-25-18(11-15(19)20)16-4-1-5-17(26-16)21-24-8-10-28-21/h1,4-8,10-12,14H,2-3,9,13,22H2/t14-/m0/s1
InChIKeyLLTREDCLJINYCA-AWEZNQCLSA-N
MW388.50 g/mol
LogP3.74
Rot. Bonds3

About (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine

(3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine (PubChem CID 58387599) has the molecular formula C21H20N6S and a molecular weight of 388.50 g/mol. Its IUPAC name is (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine
PubChem CID58387599
Molecular FormulaC21H20N6S
Molecular Weight388.50 g/mol
Exact Mass388.15
IUPAC Name(3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc3cnc(-c4cccc(-c5nccs5)n4)cc23)C1
InChIInChI=1S/C21H20N6S/c22-14-3-2-9-27(13-14)20-6-7-23-19-12-25-18(11-15(19)20)16-4-1-5-17(26-16)21-24-8-10-28-21/h1,4-8,10-12,14H,2-3,9,13,22H2/t14-/m0/s1
InChIKeyLLTREDCLJINYCA-AWEZNQCLSA-N
XLogP3.74
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine (CID 58387599) is (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine is N[C@H]1CCCN(c2ccnc3cnc(-c4cccc(-c5nccs5)n4)cc23)C1.
What is the InChIKey of (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine?
The InChIKey is LLTREDCLJINYCA-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N6S/c22-14-3-2-9-27(13-14)20-6-7-23-19-12-25-18(11-15(19)20)16-4-1-5-17(26-16)21-24-8-10-28-21/h1,4-8,10-12,14H,2-3,9,13,22H2/t14-/m0/s1.
What are the key properties of (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine?
(3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine has a molecular weight of 388.50 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,7-naphthyridin-4-yl]piperidin-3-amine is sourced from PubChem (CID 58387599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).