4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile

C16H18N4S — CID 106251814

IUPAC4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile
SMILESCCC1(CC)CN=C(Nc2ccc(C#N)c(C#N)c2)SC1
InChIInChI=1S/C16H18N4S/c1-3-16(4-2)10-19-15(21-11-16)20-14-6-5-12(8-17)13(7-14)9-18/h5-7H,3-4,10-11H2,1-2H3,(H,19,20)
InChIKeyMRVIKQDOFLYDAQ-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.75
Rot. Bonds3

About 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile

4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile (PubChem CID 106251814) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile
PubChem CID106251814
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile
SMILESCCC1(CC)CN=C(Nc2ccc(C#N)c(C#N)c2)SC1
InChIInChI=1S/C16H18N4S/c1-3-16(4-2)10-19-15(21-11-16)20-14-6-5-12(8-17)13(7-14)9-18/h5-7H,3-4,10-11H2,1-2H3,(H,19,20)
InChIKeyMRVIKQDOFLYDAQ-UHFFFAOYSA-N
XLogP3.75
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile with MolForge

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Related Compounds

4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzene-1,2-dicarbonitrile
CID 107791769
N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250889
N-(3,5-dimethylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249954
5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249763
1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106251711
N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250051
N-(2,6-dichloro-3-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249715
N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile
CID 115361152
5,5-diethyl-N-[(5-ethylthiophen-2-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106252065
1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 106250998
4-(4-ethoxyanilino)benzene-1,2-dicarbonitrile
CID 139772534

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile (CID 106251814) is 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile is CCC1(CC)CN=C(Nc2ccc(C#N)c(C#N)c2)SC1.
What is the InChIKey of 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile?
The InChIKey is MRVIKQDOFLYDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-3-16(4-2)10-19-15(21-11-16)20-14-6-5-12(8-17)13(7-14)9-18/h5-7H,3-4,10-11H2,1-2H3,(H,19,20).
What are the key properties of 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile?
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile has a molecular weight of 298.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 106251814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).