(4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine

C16H15ClN2S — CID 135564566

IUPAC(4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine
SMILESCC/N=C1/Nc2ccc(Cl)cc2[C@@H](c2ccccc2)S1
InChIInChI=1S/C16H15ClN2S/c1-2-18-16-19-14-9-8-12(17)10-13(14)15(20-16)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyZGOWZGZRTGGMMM-OAHLLOKOSA-N
MW302.83 g/mol
LogP4.96
Rot. Bonds2

About (4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine

(4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine (PubChem CID 135564566) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is (4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine.

Molecular Properties

Compound Name(4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine
PubChem CID135564566
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name(4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine
SMILESCC/N=C1/Nc2ccc(Cl)cc2[C@@H](c2ccccc2)S1
InChIInChI=1S/C16H15ClN2S/c1-2-18-16-19-14-9-8-12(17)10-13(14)15(20-16)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyZGOWZGZRTGGMMM-OAHLLOKOSA-N
XLogP4.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine?
The IUPAC name of (4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine (CID 135564566) is (4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine.
What is the SMILES notation for (4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine?
The canonical SMILES for (4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine is CC/N=C1/Nc2ccc(Cl)cc2[C@@H](c2ccccc2)S1.
What is the InChIKey of (4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine?
The InChIKey is ZGOWZGZRTGGMMM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-2-18-16-19-14-9-8-12(17)10-13(14)15(20-16)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine?
(4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine has a molecular weight of 302.83 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzothiazin-2-imine is sourced from PubChem (CID 135564566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).