N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine

C22H16Cl2N4S — CID 23911482

IUPACN-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESClc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2cccnc2)c(Cl)c1
InChIInChI=1S/C22H16Cl2N4S/c23-18-8-9-19(20(24)11-18)21-15-29-22(26-13-16-5-2-1-3-6-16)28(21)27-14-17-7-4-10-25-12-17/h1-12,14-15H,13H2/b26-22-,27-14?
InChIKeyALSSIDIVYYUUJG-YGBQXDCPSA-N
MW439.37 g/mol
LogP5.90
Rot. Bonds5

About N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine

N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23911482) has the molecular formula C22H16Cl2N4S and a molecular weight of 439.37 g/mol. Its IUPAC name is N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23911482
Molecular FormulaC22H16Cl2N4S
Molecular Weight439.37 g/mol
Exact Mass438.05
IUPAC NameN-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESClc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2cccnc2)c(Cl)c1
InChIInChI=1S/C22H16Cl2N4S/c23-18-8-9-19(20(24)11-18)21-15-29-22(26-13-16-5-2-1-3-6-16)28(21)27-14-17-7-4-10-25-12-17/h1-12,14-15H,13H2/b26-22-,27-14?
InChIKeyALSSIDIVYYUUJG-YGBQXDCPSA-N
XLogP5.90
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.37
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2448029
4-[[4-(2,4-dichlorophenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135709953
4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23852726
4-[(E)-[4-(2,4-dichlorophenyl)-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6902479
N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993667
4-[[2-benzylimino-4-(2-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135823393
(E)-4-(2,4-dichlorophenyl)-3-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 6904700
3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23911393
N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23992225
2-bromo-4-[(E)-[4-(2,4-dichlorophenyl)-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135691072
N-cyclohexyl-4-(2-methoxyphenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23878887
4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 135849491

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23911482) is N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine is Clc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2cccnc2)c(Cl)c1.
What is the InChIKey of N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is ALSSIDIVYYUUJG-YGBQXDCPSA-N. The full InChI is InChI=1S/C22H16Cl2N4S/c23-18-8-9-19(20(24)11-18)21-15-29-22(26-13-16-5-2-1-3-6-16)28(21)27-14-17-7-4-10-25-12-17/h1-12,14-15H,13H2/b26-22-,27-14?.
What are the key properties of N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 439.37 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23911482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).