2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile

C19H20N2S — CID 67902682

IUPAC2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile
SMILESCCCN1c2ccccc2Sc2ccc(C(C)(C)C#N)cc21
InChIInChI=1S/C19H20N2S/c1-4-11-21-15-7-5-6-8-17(15)22-18-10-9-14(12-16(18)21)19(2,3)13-20/h5-10,12H,4,11H2,1-3H3
InChIKeyPPQOBUXPDFYEQS-UHFFFAOYSA-N
MW308.45 g/mol
LogP5.50
Rot. Bonds3

About 2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile

2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile (PubChem CID 67902682) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile
PubChem CID67902682
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile
SMILESCCCN1c2ccccc2Sc2ccc(C(C)(C)C#N)cc21
InChIInChI=1S/C19H20N2S/c1-4-11-21-15-7-5-6-8-17(15)22-18-10-9-14(12-16(18)21)19(2,3)13-20/h5-10,12H,4,11H2,1-3H3
InChIKeyPPQOBUXPDFYEQS-UHFFFAOYSA-N
XLogP5.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine
CID 143153499
10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 58645990
cyanomethyl-dimethyl-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium
CID 66552592
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
10-butylphenothiazine;propane
CID 177020956
10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810
1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-2-ol
CID 139567013
10-[4-(4-methylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 139567030
10-octyl-3-(10-octylphenothiazin-3-yl)phenothiazine
CID 102519325
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 2913535
10-[3-[4-(2-butoxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 54600907
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile (CID 67902682) is 2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile is CCCN1c2ccccc2Sc2ccc(C(C)(C)C#N)cc21.
What is the InChIKey of 2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile?
The InChIKey is PPQOBUXPDFYEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-4-11-21-15-7-5-6-8-17(15)22-18-10-9-14(12-16(18)21)19(2,3)13-20/h5-10,12H,4,11H2,1-3H3.
What are the key properties of 2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile?
2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile has a molecular weight of 308.45 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(10-propylphenothiazin-2-yl)propanenitrile is sourced from PubChem (CID 67902682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).