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

C16H24N2OS — CID 106250484

IUPACN-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCOc1cccc(NC2=NCC(CC)(CC)CS2)c1
InChIInChI=1S/C16H24N2OS/c1-4-16(5-2)11-17-15(20-12-16)18-13-8-7-9-14(10-13)19-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,18)
InChIKeyPWQPPELBQKBTOX-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.41
Rot. Bonds5

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

N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250484) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250484
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCOc1cccc(NC2=NCC(CC)(CC)CS2)c1
InChIInChI=1S/C16H24N2OS/c1-4-16(5-2)11-17-15(20-12-16)18-13-8-7-9-14(10-13)19-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,18)
InChIKeyPWQPPELBQKBTOX-UHFFFAOYSA-N
XLogP4.41
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492430
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide
CID 106249819
N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187669
N-(3-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857841
5,5-diethyl-N-(2-propylphenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250477
5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249760
5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249763
N-(4-ethoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62522939
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
CID 63961957
N-tert-butyl-3-ethoxyaniline
CID 58745523

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 106250484) is N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is CCOc1cccc(NC2=NCC(CC)(CC)CS2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is PWQPPELBQKBTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-16(5-2)11-17-15(20-12-16)18-13-8-7-9-14(10-13)19-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,18).
What are the key properties of N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 292.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).