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

C21H15BrN4S — CID 23934042

IUPAC4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESBrc1ccccc1-c1cs/c(=N\c2ccccc2)n1N=Cc1ccccn1
InChIInChI=1S/C21H15BrN4S/c22-19-12-5-4-11-18(19)20-15-27-21(25-16-8-2-1-3-9-16)26(20)24-14-17-10-6-7-13-23-17/h1-15H/b24-14?,25-21-
InChIKeyDXGLSNCAJKJRHG-RSDZEHHHSA-N
MW435.35 g/mol
LogP5.49
Rot. Bonds4

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

4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23934042) has the molecular formula C21H15BrN4S and a molecular weight of 435.35 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23934042
Molecular FormulaC21H15BrN4S
Molecular Weight435.35 g/mol
Exact Mass434.02
IUPAC Name4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESBrc1ccccc1-c1cs/c(=N\c2ccccc2)n1N=Cc1ccccn1
InChIInChI=1S/C21H15BrN4S/c22-19-12-5-4-11-18(19)20-15-27-21(25-16-8-2-1-3-9-16)26(20)24-14-17-10-6-7-13-23-17/h1-15H/b24-14?,25-21-
InChIKeyDXGLSNCAJKJRHG-RSDZEHHHSA-N
XLogP5.49
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-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-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2455204
4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23768904
N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23992225
4-bromo-2-[[4-(2-bromophenyl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135693034
4-(1-benzofuran-2-yl)-N-pyridin-3-yl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23940312
4-(5-bromothiophen-2-yl)-N-prop-2-enyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2496340
(E)-4-(2-bromophenyl)-N-propan-2-yl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905400
N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2364664
N-[3-acetamido-4-[2-methylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8825768
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9390315
N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993667
(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 4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23934042) is 4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is Brc1ccccc1-c1cs/c(=N\c2ccccc2)n1N=Cc1ccccn1.
What is the InChIKey of 4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is DXGLSNCAJKJRHG-RSDZEHHHSA-N. The full InChI is InChI=1S/C21H15BrN4S/c22-19-12-5-4-11-18(19)20-15-27-21(25-16-8-2-1-3-9-16)26(20)24-14-17-10-6-7-13-23-17/h1-15H/b24-14?,25-21-.
What are the key properties of 4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 435.35 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23934042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).