1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine

C17H21N3S — CID 70223787

IUPAC1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine
SMILESCN(C)c1ccc2c(c1N(C)C)N(C)c1ccccc1S2
InChIInChI=1S/C17H21N3S/c1-18(2)13-10-11-15-17(16(13)19(3)4)20(5)12-8-6-7-9-14(12)21-15/h6-11H,1-5H3
InChIKeyGVAMQSGCSDDWKX-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.05
Rot. Bonds2

About 1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine

1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine (PubChem CID 70223787) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine
PubChem CID70223787
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine
SMILESCN(C)c1ccc2c(c1N(C)C)N(C)c1ccccc1S2
InChIInChI=1S/C17H21N3S/c1-18(2)13-10-11-15-17(16(13)19(3)4)20(5)12-8-6-7-9-14(12)21-15/h6-11H,1-5H3
InChIKeyGVAMQSGCSDDWKX-UHFFFAOYSA-N
XLogP4.05
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine (CID 70223787) is 1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine is CN(C)c1ccc2c(c1N(C)C)N(C)c1ccccc1S2.
What is the InChIKey of 1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine?
The InChIKey is GVAMQSGCSDDWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-18(2)13-10-11-15-17(16(13)19(3)4)20(5)12-8-6-7-9-14(12)21-15/h6-11H,1-5H3.
What are the key properties of 1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine?
1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine has a molecular weight of 299.44 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N,10-pentamethylphenothiazine-1,2-diamine is sourced from PubChem (CID 70223787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).