N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine

C24H27N3O2S — CID 123974278

About N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine

N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 123974278) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine
• PubChem CID: 123974278
• Molecular Formula: C24H27N3O2S
• Molecular Weight: 421.57 g/mol
• Exact Mass: 421.18
• IUPAC Name: N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine
• SMILES: CCC(OC)c1cccc(-c2csc(NN=C3CCCc4c(OC)cccc43)n2)c1
• InChI: InChI=1S/C24H27N3O2S/c1-4-22(28-2)17-9-5-8-16(14-17)21-15-30-24(25-21)27-26-20-12-6-11-19-18(20)10-7-13-23(19)29-3/h5,7-10,13-15,22H,4,6,11-12H2,1-3H3,(H,25,27)
• InChIKey: GLQYOXCJZPRHOX-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 55.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.57
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine?

The IUPAC name of N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine (CID 123974278) is N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine?

The canonical SMILES for N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine is CCC(OC)c1cccc(-c2csc(NN=C3CCCc4c(OC)cccc43)n2)c1.

What is the InChIKey of N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine?

The InChIKey is GLQYOXCJZPRHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-4-22(28-2)17-9-5-8-16(14-17)21-15-30-24(25-21)27-26-20-12-6-11-19-18(20)10-7-13-23(19)29-3/h5,7-10,13-15,22H,4,6,11-12H2,1-3H3,(H,25,27).

What are the key properties of N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine?

N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 421.57 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-[3-(1-methoxypropyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 123974278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).