(4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine

C17H14FNS — CID 139182066

IUPAC(4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine
SMILESCC1=Nc2cc(C)ccc2/C(=C/c2ccc(F)cc2)S1
InChIInChI=1S/C17H14FNS/c1-11-3-8-15-16(9-11)19-12(2)20-17(15)10-13-4-6-14(18)7-5-13/h3-10H,1-2H3/b17-10-
InChIKeyBKUSIXVDHGRMFB-YVLHZVERSA-N
MW283.37 g/mol
LogP5.43
Rot. Bonds1

About (4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine

(4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine (PubChem CID 139182066) has the molecular formula C17H14FNS and a molecular weight of 283.37 g/mol. Its IUPAC name is (4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine.

Molecular Properties

Compound Name(4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine
PubChem CID139182066
Molecular FormulaC17H14FNS
Molecular Weight283.37 g/mol
Exact Mass283.08
IUPAC Name(4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine
SMILESCC1=Nc2cc(C)ccc2/C(=C/c2ccc(F)cc2)S1
InChIInChI=1S/C17H14FNS/c1-11-3-8-15-16(9-11)19-12(2)20-17(15)10-13-4-6-14(18)7-5-13/h3-10H,1-2H3/b17-10-
InChIKeyBKUSIXVDHGRMFB-YVLHZVERSA-N
XLogP5.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine?
The IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine (CID 139182066) is (4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine.
What is the SMILES notation for (4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine?
The canonical SMILES for (4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine is CC1=Nc2cc(C)ccc2/C(=C/c2ccc(F)cc2)S1.
What is the InChIKey of (4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine?
The InChIKey is BKUSIXVDHGRMFB-YVLHZVERSA-N. The full InChI is InChI=1S/C17H14FNS/c1-11-3-8-15-16(9-11)19-12(2)20-17(15)10-13-4-6-14(18)7-5-13/h3-10H,1-2H3/b17-10-.
What are the key properties of (4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine?
(4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine has a molecular weight of 283.37 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-fluorophenyl)methylidene]-2,7-dimethyl-3,1-benzothiazine is sourced from PubChem (CID 139182066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).