5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine

C17H26N2S — CID 106250477

IUPAC5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCCc1ccccc1NC1=NCC(CC)(CC)CS1
InChIInChI=1S/C17H26N2S/c1-4-9-14-10-7-8-11-15(14)19-16-18-12-17(5-2,6-3)13-20-16/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,18,19)
InChIKeyAJIUPBMBUSMEFD-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.96
Rot. Bonds5

About 5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250477) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250477
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCCc1ccccc1NC1=NCC(CC)(CC)CS1
InChIInChI=1S/C17H26N2S/c1-4-9-14-10-7-8-11-15(14)19-16-18-12-17(5-2,6-3)13-20-16/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,18,19)
InChIKeyAJIUPBMBUSMEFD-UHFFFAOYSA-N
XLogP4.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249760
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-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64551922
N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250889
N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 616412
N-(2,6-dichloro-3-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249715
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide
CID 106249819
1-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-propylphenyl)hydrazine
CID 54305125
5,5-diethyl-N-[(5-ethylthiophen-2-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106252065
N-(2-chlorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361144

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106250477) is 5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine is CCCc1ccccc1NC1=NCC(CC)(CC)CS1.
What is the InChIKey of 5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is AJIUPBMBUSMEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-4-9-14-10-7-8-11-15(14)19-16-18-12-17(5-2,6-3)13-20-16/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,18,19).
What are the key properties of 5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 290.48 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).