5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine

C18H26N2S — CID 106249760

IUPAC5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(Nc2cccc3c2CCCC3)SC1
InChIInChI=1S/C18H26N2S/c1-3-18(4-2)12-19-17(21-13-18)20-16-11-7-9-14-8-5-6-10-15(14)16/h7,9,11H,3-6,8,10,12-13H2,1-2H3,(H,19,20)
InChIKeyJTIJQLBNKMBIIN-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.89
Rot. Bonds3

About 5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106249760) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106249760
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(Nc2cccc3c2CCCC3)SC1
InChIInChI=1S/C18H26N2S/c1-3-18(4-2)12-19-17(21-13-18)20-16-11-7-9-14-8-5-6-10-15(14)16/h7,9,11H,3-6,8,10,12-13H2,1-2H3,(H,19,20)
InChIKeyJTIJQLBNKMBIIN-UHFFFAOYSA-N
XLogP4.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106249760) is 5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(Nc2cccc3c2CCCC3)SC1.
What is the InChIKey of 5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is JTIJQLBNKMBIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-3-18(4-2)12-19-17(21-13-18)20-16-11-7-9-14-8-5-6-10-15(14)16/h7,9,11H,3-6,8,10,12-13H2,1-2H3,(H,19,20).
What are the key properties of 5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106249760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).