10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile

C18H19N3S — CID 19020533

IUPAC10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile
SMILESCCNC(CC)N1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C18H19N3S/c1-3-18(20-4-2)21-14-7-5-6-8-16(14)22-17-10-9-13(12-19)11-15(17)21/h5-11,18,20H,3-4H2,1-2H3
InChIKeyJXGIDOJPITVATL-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.51
Rot. Bonds4

About 10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile

10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile (PubChem CID 19020533) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile.

Molecular Properties

Compound Name10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile
PubChem CID19020533
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile
SMILESCCNC(CC)N1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C18H19N3S/c1-3-18(20-4-2)21-14-7-5-6-8-16(14)22-17-10-9-13(12-19)11-15(17)21/h5-11,18,20H,3-4H2,1-2H3
InChIKeyJXGIDOJPITVATL-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile?
The IUPAC name of 10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile (CID 19020533) is 10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile.
What is the SMILES notation for 10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile?
The canonical SMILES for 10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile is CCNC(CC)N1c2ccccc2Sc2ccc(C#N)cc21.
What is the InChIKey of 10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile?
The InChIKey is JXGIDOJPITVATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-3-18(20-4-2)21-14-7-5-6-8-16(14)22-17-10-9-13(12-19)11-15(17)21/h5-11,18,20H,3-4H2,1-2H3.
What are the key properties of 10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile?
10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile has a molecular weight of 309.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile is sourced from PubChem (CID 19020533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).