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

C20H16N4S — CID 23907138

IUPACN-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cccc3ccccc23)n1N=Cc1ccncc1
InChIInChI=1S/C20H16N4S/c1-21-20-24(23-13-15-9-11-22-12-10-15)19(14-25-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-14H,1H3/b21-20-,23-13?
InChIKeyZHXKCQIIZPFAQF-VHHWJWJWSA-N
MW344.44 g/mol
LogP4.18
Rot. Bonds3

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

N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23907138) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23907138
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC NameN-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cccc3ccccc23)n1N=Cc1ccncc1
InChIInChI=1S/C20H16N4S/c1-21-20-24(23-13-15-9-11-22-12-10-15)19(14-25-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-14H,1H3/b21-20-,23-13?
InChIKeyZHXKCQIIZPFAQF-VHHWJWJWSA-N
XLogP4.18
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23907138) is N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is C/N=c1\scc(-c2cccc3ccccc23)n1N=Cc1ccncc1.
What is the InChIKey of N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is ZHXKCQIIZPFAQF-VHHWJWJWSA-N. The full InChI is InChI=1S/C20H16N4S/c1-21-20-24(23-13-15-9-11-22-12-10-15)19(14-25-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-14H,1H3/b21-20-,23-13?.
What are the key properties of N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 344.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23907138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).