10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile

C19H21N3S — CID 67922717

IUPAC10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile
SMILESCCN(C)C[C@@H](C)N1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C19H21N3S/c1-4-21(3)13-14(2)22-16-7-5-6-8-18(16)23-19-10-9-15(12-20)11-17(19)22/h5-11,14H,4,13H2,1-3H3/t14-/m1/s1
InChIKeyNLHZFZGOACRCBF-CQSZACIVSA-N
MW323.47 g/mol
LogP4.50
Rot. Bonds4

About 10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile

10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile (PubChem CID 67922717) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile.

Molecular Properties

Compound Name10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile
PubChem CID67922717
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile
SMILESCCN(C)C[C@@H](C)N1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C19H21N3S/c1-4-21(3)13-14(2)22-16-7-5-6-8-18(16)23-19-10-9-15(12-20)11-17(19)22/h5-11,14H,4,13H2,1-3H3/t14-/m1/s1
InChIKeyNLHZFZGOACRCBF-CQSZACIVSA-N
XLogP4.50
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile?
The IUPAC name of 10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile (CID 67922717) is 10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile.
What is the SMILES notation for 10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile?
The canonical SMILES for 10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile is CCN(C)C[C@@H](C)N1c2ccccc2Sc2ccc(C#N)cc21.
What is the InChIKey of 10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile?
The InChIKey is NLHZFZGOACRCBF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3S/c1-4-21(3)13-14(2)22-16-7-5-6-8-18(16)23-19-10-9-15(12-20)11-17(19)22/h5-11,14H,4,13H2,1-3H3/t14-/m1/s1.
What are the key properties of 10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile?
10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile has a molecular weight of 323.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile is sourced from PubChem (CID 67922717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).