4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

C17H16BrN3OS — CID 3974765

IUPAC4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccnc1
InChIInChI=1S/C17H16BrN3OS/c1-22-10-9-21-16(13-4-6-14(18)7-5-13)12-23-17(21)20-15-3-2-8-19-11-15/h2-8,11-12H,9-10H2,1H3/b20-17-
InChIKeyBIWRARHVOZJWIM-JZJYNLBNSA-N
MW390.31 g/mol
LogP4.25
Rot. Bonds5

About 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 3974765) has the molecular formula C17H16BrN3OS and a molecular weight of 390.31 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID3974765
Molecular FormulaC17H16BrN3OS
Molecular Weight390.31 g/mol
Exact Mass389.02
IUPAC Name4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccnc1
InChIInChI=1S/C17H16BrN3OS/c1-22-10-9-21-16(13-4-6-14(18)7-5-13)12-23-17(21)20-15-3-2-8-19-11-15/h2-8,11-12H,9-10H2,1H3/b20-17-
InChIKeyBIWRARHVOZJWIM-JZJYNLBNSA-N
XLogP4.25
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 3974765) is 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is COCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccnc1.
What is the InChIKey of 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is BIWRARHVOZJWIM-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H16BrN3OS/c1-22-10-9-21-16(13-4-6-14(18)7-5-13)12-23-17(21)20-15-3-2-8-19-11-15/h2-8,11-12H,9-10H2,1H3/b20-17-.
What are the key properties of 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 390.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 3974765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).