1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

C16H25N3S — CID 106251711

IUPAC1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCC1(CC)CN=C(Nc2ccccc2N(C)C)SC1
InChIInChI=1S/C16H25N3S/c1-5-16(6-2)11-17-15(20-12-16)18-13-9-7-8-10-14(13)19(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,17,18)
InChIKeyUHGIYJOHDNJLGN-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.07
Rot. Bonds4

About 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106251711) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106251711
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCC1(CC)CN=C(Nc2ccccc2N(C)C)SC1
InChIInChI=1S/C16H25N3S/c1-5-16(6-2)11-17-15(20-12-16)18-13-9-7-8-10-14(13)19(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,17,18)
InChIKeyUHGIYJOHDNJLGN-UHFFFAOYSA-N
XLogP4.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine with MolForge

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Related Compounds

5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250477
N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249763
5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249760
1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760299
2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine
CID 106760311
N-(3,5-dimethylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249954
N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250484
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide
CID 106249819
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile
CID 106251814
N-(2,6-dichloro-3-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249715
5,5-diethyl-N-[(5-ethylthiophen-2-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106252065

Frequently Asked Questions

What is the IUPAC name of 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106251711) is 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is CCC1(CC)CN=C(Nc2ccccc2N(C)C)SC1.
What is the InChIKey of 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is UHGIYJOHDNJLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-5-16(6-2)11-17-15(20-12-16)18-13-9-7-8-10-14(13)19(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,17,18).
What are the key properties of 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 291.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106251711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).