4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile

C15H11N7S — CID 139231671

IUPAC4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile
SMILESC/C(=N\NC1=NC(N)=C(C#N)C(C#N)(C#N)S1)c1ccccc1
InChIInChI=1S/C15H11N7S/c1-10(11-5-3-2-4-6-11)21-22-14-20-13(19)12(7-16)15(8-17,9-18)23-14/h2-6H,19H2,1H3,(H,20,22)/b21-10+
InChIKeyAOFFPSWLAVYAEB-UFFVCSGVSA-N
MW321.37 g/mol
LogP1.58
Rot. Bonds2

About 4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile

4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile (PubChem CID 139231671) has the molecular formula C15H11N7S and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile.

Molecular Properties

Compound Name4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile
PubChem CID139231671
Molecular FormulaC15H11N7S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile
SMILESC/C(=N\NC1=NC(N)=C(C#N)C(C#N)(C#N)S1)c1ccccc1
InChIInChI=1S/C15H11N7S/c1-10(11-5-3-2-4-6-11)21-22-14-20-13(19)12(7-16)15(8-17,9-18)23-14/h2-6H,19H2,1H3,(H,20,22)/b21-10+
InChIKeyAOFFPSWLAVYAEB-UFFVCSGVSA-N
XLogP1.58
TPSA134.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile?
The IUPAC name of 4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile (CID 139231671) is 4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile.
What is the SMILES notation for 4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile?
The canonical SMILES for 4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile is C/C(=N\NC1=NC(N)=C(C#N)C(C#N)(C#N)S1)c1ccccc1.
What is the InChIKey of 4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile?
The InChIKey is AOFFPSWLAVYAEB-UFFVCSGVSA-N. The full InChI is InChI=1S/C15H11N7S/c1-10(11-5-3-2-4-6-11)21-22-14-20-13(19)12(7-16)15(8-17,9-18)23-14/h2-6H,19H2,1H3,(H,20,22)/b21-10+.
What are the key properties of 4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile?
4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile has a molecular weight of 321.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazine-5,6,6-tricarbonitrile is sourced from PubChem (CID 139231671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).