1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one

C20H24N2OS — CID 67042165

IUPAC1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChIInChI=1S/C20H24N2OS/c1-14(21(3)4)13-22-17-7-5-6-8-19(17)24-20-10-9-16(11-15(2)23)12-18(20)22/h5-10,12,14H,11,13H2,1-4H3
InChIKeyMXGVCQVNPQIHQI-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.37
Rot. Bonds5

About 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one

1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one (PubChem CID 67042165) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one
PubChem CID67042165
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChIInChI=1S/C20H24N2OS/c1-14(21(3)4)13-22-17-7-5-6-8-19(17)24-20-10-9-16(11-15(2)23)12-18(20)22/h5-10,12,14H,11,13H2,1-4H3
InChIKeyMXGVCQVNPQIHQI-UHFFFAOYSA-N
XLogP4.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one 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 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one?
The IUPAC name of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one (CID 67042165) is 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one.
What is the SMILES notation for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one?
The canonical SMILES for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one is CC(=O)Cc1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2.
What is the InChIKey of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one?
The InChIKey is MXGVCQVNPQIHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-14(21(3)4)13-22-17-7-5-6-8-19(17)24-20-10-9-16(11-15(2)23)12-18(20)22/h5-10,12,14H,11,13H2,1-4H3.
What are the key properties of 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one?
1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one has a molecular weight of 340.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-2-one is sourced from PubChem (CID 67042165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).