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

C15H19N3S — CID 106351686

IUPAC4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
SMILESCc1ccc(C#N)cc1NC1=NC(C(C)C)CCS1
InChIInChI=1S/C15H19N3S/c1-10(2)13-6-7-19-15(17-13)18-14-8-12(9-16)5-4-11(14)3/h4-5,8,10,13H,6-7H2,1-3H3,(H,17,18)
InChIKeyUBUNHNPNYKDUAK-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.80
Rot. Bonds2

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

4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile (PubChem CID 106351686) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
PubChem CID106351686
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
SMILESCc1ccc(C#N)cc1NC1=NC(C(C)C)CCS1
InChIInChI=1S/C15H19N3S/c1-10(2)13-6-7-19-15(17-13)18-14-8-12(9-16)5-4-11(14)3/h4-5,8,10,13H,6-7H2,1-3H3,(H,17,18)
InChIKeyUBUNHNPNYKDUAK-UHFFFAOYSA-N
XLogP3.80
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177135
N-(2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177148
3-(4,5-dihydro-1,3-thiazol-2-ylamino)-4-methylbenzonitrile
CID 62103967
N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177114
3-fluoro-4-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107858075
(4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246370
N-(5-iodo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114257714
N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009788
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351151
4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351748
N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351191
3-methoxy-4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 104849659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile?
The IUPAC name of 4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile (CID 106351686) is 4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile.
What is the SMILES notation for 4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile?
The canonical SMILES for 4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile is Cc1ccc(C#N)cc1NC1=NC(C(C)C)CCS1.
What is the InChIKey of 4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile?
The InChIKey is UBUNHNPNYKDUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10(2)13-6-7-19-15(17-13)18-14-8-12(9-16)5-4-11(14)3/h4-5,8,10,13H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile?
4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile has a molecular weight of 273.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile is sourced from PubChem (CID 106351686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).