N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C19H26N2OS — CID 17338517

IUPACN-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(CN(CC2CC=CCC2)C2=NCCCS2)cc1
InChIInChI=1S/C19H26N2OS/c1-22-18-10-8-17(9-11-18)15-21(19-20-12-5-13-23-19)14-16-6-3-2-4-7-16/h2-3,8-11,16H,4-7,12-15H2,1H3
InChIKeyFJGVJXVOEFQEOT-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.35
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338517) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338517
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(CN(CC2CC=CCC2)C2=NCCCS2)cc1
InChIInChI=1S/C19H26N2OS/c1-22-18-10-8-17(9-11-18)15-21(19-20-12-5-13-23-19)14-16-6-3-2-4-7-16/h2-3,8-11,16H,4-7,12-15H2,1H3
InChIKeyFJGVJXVOEFQEOT-UHFFFAOYSA-N
XLogP4.35
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338573
N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338576
N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338501
1-(cyclohex-3-en-1-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 4668710
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6945656
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338382
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 4792508
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 40617558
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-4-ethylanilino]-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 45135989
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
CID 138519134

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338517) is N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccc(CN(CC2CC=CCC2)C2=NCCCS2)cc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is FJGVJXVOEFQEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-22-18-10-8-17(9-11-18)15-21(19-20-12-5-13-23-19)14-16-6-3-2-4-7-16/h2-3,8-11,16H,4-7,12-15H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 330.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).