2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine

C24H24N2O2S — CID 11452462

IUPAC2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine
SMILESCOc1ccc(C2=Nc3ccc(N(C)C)cc3SC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-26(2)18-9-14-21-22(15-18)29-24(17-7-12-20(28-4)13-8-17)23(25-21)16-5-10-19(27-3)11-6-16/h5-15,24H,1-4H3
InChIKeyFICFQNZICIUVHN-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.74
Rot. Bonds5

About 2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine

2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine (PubChem CID 11452462) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine
PubChem CID11452462
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine
SMILESCOc1ccc(C2=Nc3ccc(N(C)C)cc3SC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-26(2)18-9-14-21-22(15-18)29-24(17-7-12-20(28-4)13-8-17)23(25-21)16-5-10-19(27-3)11-6-16/h5-15,24H,1-4H3
InChIKeyFICFQNZICIUVHN-UHFFFAOYSA-N
XLogP5.74
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine?
The IUPAC name of 2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine (CID 11452462) is 2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine is COc1ccc(C2=Nc3ccc(N(C)C)cc3SC2c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine?
The InChIKey is FICFQNZICIUVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-26(2)18-9-14-21-22(15-18)29-24(17-7-12-20(28-4)13-8-17)23(25-21)16-5-10-19(27-3)11-6-16/h5-15,24H,1-4H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine?
2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine has a molecular weight of 404.54 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)-N,N-dimethyl-2H-1,4-benzothiazin-7-amine is sourced from PubChem (CID 11452462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).