(2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

C13H11BrN2OS — CID 14950685

IUPAC(2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2ccc(Br)cc2)N=C2SCCCN12
InChIInChI=1S/C13H11BrN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-6-1-7-18-13(16)15-11/h2-5,8H,1,6-7H2/b11-8-
InChIKeyCDHVKCLNVBLBCF-FLIBITNWSA-N
MW323.22 g/mol
LogP3.13
Rot. Bonds1

About (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

(2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (PubChem CID 14950685) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
PubChem CID14950685
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC Name(2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2ccc(Br)cc2)N=C2SCCCN12
InChIInChI=1S/C13H11BrN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-6-1-7-18-13(16)15-11/h2-5,8H,1,6-7H2/b11-8-
InChIKeyCDHVKCLNVBLBCF-FLIBITNWSA-N
XLogP3.13
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one 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 (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The IUPAC name of (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (CID 14950685) is (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.
What is the SMILES notation for (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The canonical SMILES for (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is O=C1/C(=C/c2ccc(Br)cc2)N=C2SCCCN12.
What is the InChIKey of (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The InChIKey is CDHVKCLNVBLBCF-FLIBITNWSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-6-1-7-18-13(16)15-11/h2-5,8H,1,6-7H2/b11-8-.
What are the key properties of (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
(2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one has a molecular weight of 323.22 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-bromophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is sourced from PubChem (CID 14950685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).