2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile

C15H19N3S — CID 106165920

IUPAC2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile
SMILESCCC1(C)CCSC(Nc2ccc(CC#N)cc2)=N1
InChIInChI=1S/C15H19N3S/c1-3-15(2)9-11-19-14(18-15)17-13-6-4-12(5-7-13)8-10-16/h4-7H,3,8-9,11H2,1-2H3,(H,17,18)
InChIKeyDMYQZJLHCJUAID-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.83
Rot. Bonds3

About 2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile

2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile (PubChem CID 106165920) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile
PubChem CID106165920
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile
SMILESCCC1(C)CCSC(Nc2ccc(CC#N)cc2)=N1
InChIInChI=1S/C15H19N3S/c1-3-15(2)9-11-19-14(18-15)17-13-6-4-12(5-7-13)8-10-16/h4-7H,3,8-9,11H2,1-2H3,(H,17,18)
InChIKeyDMYQZJLHCJUAID-UHFFFAOYSA-N
XLogP3.83
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165018
4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164620
4-ethyl-4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
CID 106165741
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164830
N-(3,5-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166821
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
N-(2,5-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164877
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
4-ethyl-4-methyl-N-quinolin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164859
N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165206
N-(4-chloro-2-iodophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166842
4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165078

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile (CID 106165920) is 2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile is CCC1(C)CCSC(Nc2ccc(CC#N)cc2)=N1.
What is the InChIKey of 2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile?
The InChIKey is DMYQZJLHCJUAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-15(2)9-11-19-14(18-15)17-13-6-4-12(5-7-13)8-10-16/h4-7H,3,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile?
2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile has a molecular weight of 273.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile is sourced from PubChem (CID 106165920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).