3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine

C15H17ClN4S — CID 12858138

IUPAC3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2Sc2ncc(Cl)nc21
InChIInChI=1S/C15H17ClN4S/c1-19(2)8-5-9-20-11-6-3-4-7-12(11)21-15-14(20)18-13(16)10-17-15/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyRTJNOITYQUBMNS-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.68
Rot. Bonds4

About 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine

3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine (PubChem CID 12858138) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
PubChem CID12858138
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC Name3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2Sc2ncc(Cl)nc21
InChIInChI=1S/C15H17ClN4S/c1-19(2)8-5-9-20-11-6-3-4-7-12(11)21-15-14(20)18-13(16)10-17-15/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyRTJNOITYQUBMNS-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine (CID 12858138) is 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCN1c2ccccc2Sc2ncc(Cl)nc21.
What is the InChIKey of 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is RTJNOITYQUBMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c1-19(2)8-5-9-20-11-6-3-4-7-12(11)21-15-14(20)18-13(16)10-17-15/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine?
3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 320.85 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrazino[2,3-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 12858138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).