4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile

C15H19N3S — CID 106351284

IUPAC4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
SMILESCC(C)(C)C1CCSC(Nc2ccc(C#N)cc2)=N1
InChIInChI=1S/C15H19N3S/c1-15(2,3)13-8-9-19-14(18-13)17-12-6-4-11(10-16)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,17,18)
InChIKeyIMWTUIJDVCSIPW-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.88
Rot. Bonds1

About 4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile

4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile (PubChem CID 106351284) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
PubChem CID106351284
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
SMILESCC(C)(C)C1CCSC(Nc2ccc(C#N)cc2)=N1
InChIInChI=1S/C15H19N3S/c1-15(2,3)13-8-9-19-14(18-13)17-12-6-4-11(10-16)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,17,18)
InChIKeyIMWTUIJDVCSIPW-UHFFFAOYSA-N
XLogP3.88
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile?
The IUPAC name of 4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile (CID 106351284) is 4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile?
The canonical SMILES for 4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile is CC(C)(C)C1CCSC(Nc2ccc(C#N)cc2)=N1.
What is the InChIKey of 4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile?
The InChIKey is IMWTUIJDVCSIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-15(2,3)13-8-9-19-14(18-13)17-12-6-4-11(10-16)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile?
4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile has a molecular weight of 273.41 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile is sourced from PubChem (CID 106351284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).