N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C21H26N2O3S — CID 17338472

IUPACN-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(CN(Cc2ccccc2)C2=NCCCS2)c(OC)c1OC
InChIInChI=1S/C21H26N2O3S/c1-24-18-11-10-17(19(25-2)20(18)26-3)15-23(21-22-12-7-13-27-21)14-16-8-5-4-6-9-16/h4-6,8-11H,7,12-15H2,1-3H3
InChIKeyZXIHNSCCFFNSJY-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.21
Rot. Bonds7

About N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338472) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338472
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(CN(Cc2ccccc2)C2=NCCCS2)c(OC)c1OC
InChIInChI=1S/C21H26N2O3S/c1-24-18-11-10-17(19(25-2)20(18)26-3)15-23(21-22-12-7-13-27-21)14-16-8-5-4-6-9-16/h4-6,8-11H,7,12-15H2,1-3H3
InChIKeyZXIHNSCCFFNSJY-UHFFFAOYSA-N
XLogP4.21
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338472) is N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccc(CN(Cc2ccccc2)C2=NCCCS2)c(OC)c1OC.
What is the InChIKey of N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ZXIHNSCCFFNSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-24-18-11-10-17(19(25-2)20(18)26-3)15-23(21-22-12-7-13-27-21)14-16-8-5-4-6-9-16/h4-6,8-11H,7,12-15H2,1-3H3.
What are the key properties of N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 386.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).