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

C22H17BrN4S — CID 23992225

IUPACN-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESBrc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2ccccn2)cc1
InChIInChI=1S/C22H17BrN4S/c23-19-11-9-18(10-12-19)21-16-28-22(25-14-17-6-2-1-3-7-17)27(21)26-15-20-8-4-5-13-24-20/h1-13,15-16H,14H2/b25-22-,26-15?
InChIKeyBVLAYDFBCIMZHW-BTKBRLNJSA-N
MW449.38 g/mol
LogP5.36
Rot. Bonds5

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

N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23992225) has the molecular formula C22H17BrN4S and a molecular weight of 449.38 g/mol. Its IUPAC name is N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23992225
Molecular FormulaC22H17BrN4S
Molecular Weight449.38 g/mol
Exact Mass448.04
IUPAC NameN-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESBrc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2ccccn2)cc1
InChIInChI=1S/C22H17BrN4S/c23-19-11-9-18(10-12-19)21-16-28-22(25-14-17-6-2-1-3-7-17)27(21)26-15-20-8-4-5-13-24-20/h1-13,15-16H,14H2/b25-22-,26-15?
InChIKeyBVLAYDFBCIMZHW-BTKBRLNJSA-N
XLogP5.36
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 55.36
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

N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2364664
N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993667
4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2455204
4-(5-bromothiophen-2-yl)-N-prop-2-enyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2496340
4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23934042
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9390315
2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide
CID 8716107
3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383546
4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
CID 3464210
4-[[2-benzylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135814649
N-benzyl-3-[(5-nitrofuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 23818844
(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 9368245

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23992225) is N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is Brc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2ccccn2)cc1.
What is the InChIKey of N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is BVLAYDFBCIMZHW-BTKBRLNJSA-N. The full InChI is InChI=1S/C22H17BrN4S/c23-19-11-9-18(10-12-19)21-16-28-22(25-14-17-6-2-1-3-7-17)27(21)26-15-20-8-4-5-13-24-20/h1-13,15-16H,14H2/b25-22-,26-15?.
What are the key properties of N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 449.38 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23992225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).