4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine

C25H19N5S — CID 23958813

IUPAC4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccc3ccccc23)cs/c1=N\c1cccnc1)c1cccnc1
InChIInChI=1S/C25H19N5S/c1-18(20-9-5-13-26-15-20)29-30-24(17-31-25(30)28-21-10-6-14-27-16-21)23-12-4-8-19-7-2-3-11-22(19)23/h2-17H,1H3/b28-25-,29-18?
InChIKeyBQVYMQPXDWIDIC-LHHBJSLKSA-N
MW421.53 g/mol
LogP5.66
Rot. Bonds4

About 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine

4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23958813) has the molecular formula C25H19N5S and a molecular weight of 421.53 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine
PubChem CID23958813
Molecular FormulaC25H19N5S
Molecular Weight421.53 g/mol
Exact Mass421.14
IUPAC Name4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccc3ccccc23)cs/c1=N\c1cccnc1)c1cccnc1
InChIInChI=1S/C25H19N5S/c1-18(20-9-5-13-26-15-20)29-30-24(17-31-25(30)28-21-10-6-14-27-16-21)23-12-4-8-19-7-2-3-11-22(19)23/h2-17H,1H3/b28-25-,29-18?
InChIKeyBQVYMQPXDWIDIC-LHHBJSLKSA-N
XLogP5.66
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135720820
3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740219
4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23936246
4-naphthalen-1-yl-3-[(5-nitrofuran-2-yl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23827471
N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23799743
4-(2,5-dichlorophenyl)-N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine
CID 23826759
N-(2,4-dimethylphenyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23935653
6-[2-(3-methylphenyl)imino-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23768885
6-[3-[1-(3-fluorophenyl)ethylideneamino]-2-pyridin-3-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23934024
4-bromo-2-[[4-(2-bromophenyl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135693034
6-[2-(3,4-dichlorophenyl)imino-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23965788
5-methoxy-2-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135713319

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine (CID 23958813) is 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine is CC(=Nn1c(-c2cccc3ccccc23)cs/c1=N\c1cccnc1)c1cccnc1.
What is the InChIKey of 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is BQVYMQPXDWIDIC-LHHBJSLKSA-N. The full InChI is InChI=1S/C25H19N5S/c1-18(20-9-5-13-26-15-20)29-30-24(17-31-25(30)28-21-10-6-14-27-16-21)23-12-4-8-19-7-2-3-11-22(19)23/h2-17H,1H3/b28-25-,29-18?.
What are the key properties of 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine?
4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 421.53 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23958813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).