10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile

C18H19N3S — CID 10403087

IUPAC10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile
SMILESCNCC(C)CN1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C18H19N3S/c1-13(11-20-2)12-21-15-5-3-4-6-17(15)22-18-8-7-14(10-19)9-16(18)21/h3-9,13,20H,11-12H2,1-2H3
InChIKeyRJBGVEFRAZYALY-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.02
Rot. Bonds4

About 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile

10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile (PubChem CID 10403087) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile.

Molecular Properties

Compound Name10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile
PubChem CID10403087
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile
SMILESCNCC(C)CN1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C18H19N3S/c1-13(11-20-2)12-21-15-5-3-4-6-17(15)22-18-8-7-14(10-19)9-16(18)21/h3-9,13,20H,11-12H2,1-2H3
InChIKeyRJBGVEFRAZYALY-UHFFFAOYSA-N
XLogP4.02
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile?
The IUPAC name of 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile (CID 10403087) is 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile.
What is the SMILES notation for 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile?
The canonical SMILES for 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile is CNCC(C)CN1c2ccccc2Sc2ccc(C#N)cc21.
What is the InChIKey of 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile?
The InChIKey is RJBGVEFRAZYALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13(11-20-2)12-21-15-5-3-4-6-17(15)22-18-8-7-14(10-19)9-16(18)21/h3-9,13,20H,11-12H2,1-2H3.
What are the key properties of 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile?
10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile has a molecular weight of 309.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile is sourced from PubChem (CID 10403087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).