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

C13H10Cl2N2OS — CID 90667666

IUPAC(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2c(Cl)cccc2Cl)N=C2SCCCN12
InChIInChI=1S/C13H10Cl2N2OS/c14-9-3-1-4-10(15)8(9)7-11-12(18)17-5-2-6-19-13(17)16-11/h1,3-4,7H,2,5-6H2/b11-7-
InChIKeyPCLSYWYZRQXVAJ-XFFZJAGNSA-N
MW313.21 g/mol
LogP3.67
Rot. Bonds1

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

(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (PubChem CID 90667666) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
PubChem CID90667666
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC Name(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2c(Cl)cccc2Cl)N=C2SCCCN12
InChIInChI=1S/C13H10Cl2N2OS/c14-9-3-1-4-10(15)8(9)7-11-12(18)17-5-2-6-19-13(17)16-11/h1,3-4,7H,2,5-6H2/b11-7-
InChIKeyPCLSYWYZRQXVAJ-XFFZJAGNSA-N
XLogP3.67
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The IUPAC name of (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (CID 90667666) is (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.
What is the SMILES notation for (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The canonical SMILES for (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is O=C1/C(=C/c2c(Cl)cccc2Cl)N=C2SCCCN12.
What is the InChIKey of (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The InChIKey is PCLSYWYZRQXVAJ-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-9-3-1-4-10(15)8(9)7-11-12(18)17-5-2-6-19-13(17)16-11/h1,3-4,7H,2,5-6H2/b11-7-.
What are the key properties of (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one has a molecular weight of 313.21 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is sourced from PubChem (CID 90667666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).