6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine

C20H15ClN2S — CID 163672127

IUPAC6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine
SMILESClc1ccc2c(c1)C(c1ccccc1)SC(Nc1ccccc1)=N2
InChIInChI=1S/C20H15ClN2S/c21-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)24-20(23-18)22-16-9-5-2-6-10-16/h1-13,19H,(H,22,23)
InChIKeyJDLZDXONRQMSMC-UHFFFAOYSA-N
MW350.87 g/mol
LogP6.28
Rot. Bonds2

About 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine

6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine (PubChem CID 163672127) has the molecular formula C20H15ClN2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound Name6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine
PubChem CID163672127
Molecular FormulaC20H15ClN2S
Molecular Weight350.87 g/mol
Exact Mass350.06
IUPAC Name6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine
SMILESClc1ccc2c(c1)C(c1ccccc1)SC(Nc1ccccc1)=N2
InChIInChI=1S/C20H15ClN2S/c21-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)24-20(23-18)22-16-9-5-2-6-10-16/h1-13,19H,(H,22,23)
InChIKeyJDLZDXONRQMSMC-UHFFFAOYSA-N
XLogP6.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.87
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine?
The IUPAC name of 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine (CID 163672127) is 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine is Clc1ccc2c(c1)C(c1ccccc1)SC(Nc1ccccc1)=N2.
What is the InChIKey of 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine?
The InChIKey is JDLZDXONRQMSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2S/c21-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)24-20(23-18)22-16-9-5-2-6-10-16/h1-13,19H,(H,22,23).
What are the key properties of 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine?
6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine has a molecular weight of 350.87 g/mol, XLogP of 6.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 163672127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).