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

C22H18N4S — CID 23823524

IUPAC4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2cccc3ccccc23)n1N=Cc1ccncc1
InChIInChI=1S/C22H18N4S/c1-2-12-24-22-26(25-15-17-10-13-23-14-11-17)21(16-27-22)20-9-5-7-18-6-3-4-8-19(18)20/h2-11,13-16H,1,12H2/b24-22-,25-15?
InChIKeyOQXJGPWQOQJZKR-XVOUCCLWSA-N
MW370.48 g/mol
LogP4.73
Rot. Bonds5

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

4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23823524) has the molecular formula C22H18N4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23823524
Molecular FormulaC22H18N4S
Molecular Weight370.48 g/mol
Exact Mass370.13
IUPAC Name4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2cccc3ccccc23)n1N=Cc1ccncc1
InChIInChI=1S/C22H18N4S/c1-2-12-24-22-26(25-15-17-10-13-23-14-11-17)21(16-27-22)20-9-5-7-18-6-3-4-8-19(18)20/h2-11,13-16H,1,12H2/b24-22-,25-15?
InChIKeyOQXJGPWQOQJZKR-XVOUCCLWSA-N
XLogP4.73
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23907138
4-(3-bromophenyl)-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23769321
3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23911393
4-(3,4-dichlorophenyl)-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23882854
4-(2-bromophenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23935911
3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 23738832
4-(1-benzofuran-2-yl)-3-(benzylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23878562
3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,2-diol
CID 135823380
4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23939933
4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993224
4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine
CID 23963655
(E)-4-(2-bromophenyl)-N-propan-2-yl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905400

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23823524) is 4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2cccc3ccccc23)n1N=Cc1ccncc1.
What is the InChIKey of 4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is OQXJGPWQOQJZKR-XVOUCCLWSA-N. The full InChI is InChI=1S/C22H18N4S/c1-2-12-24-22-26(25-15-17-10-13-23-14-11-17)21(16-27-22)20-9-5-7-18-6-3-4-8-19(18)20/h2-11,13-16H,1,12H2/b24-22-,25-15?.
What are the key properties of 4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 370.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23823524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).