N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C18H22N2O2S — CID 17338573

IUPACN-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(C)o2)C2=NCCCS2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-4-7-17(22-14)13-20(18-19-10-3-11-23-18)12-15-5-8-16(21-2)9-6-15/h4-9H,3,10-13H2,1-2H3
InChIKeyJFBKPBBBEMZVTD-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.09
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338573) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338573
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(C)o2)C2=NCCCS2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-4-7-17(22-14)13-20(18-19-10-3-11-23-18)12-15-5-8-16(21-2)9-6-15/h4-9H,3,10-13H2,1-2H3
InChIKeyJFBKPBBBEMZVTD-UHFFFAOYSA-N
XLogP4.09
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338576
N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338517
N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338501
3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline
CID 19706281
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-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338382
1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 162459040
4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548209
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 56700615
6-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80781898
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 45248888

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338573) is N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccc(CN(Cc2ccc(C)o2)C2=NCCCS2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is JFBKPBBBEMZVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-4-7-17(22-14)13-20(18-19-10-3-11-23-18)12-15-5-8-16(21-2)9-6-15/h4-9H,3,10-13H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 330.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).