10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide

C20H24N4OS — CID 25008399

IUPAC10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2
InChIInChI=1S/C20H24N4OS/c21-20(25)15-6-7-19-17(14-15)24(16-4-1-2-5-18(16)26-19)11-3-10-23-12-8-22-9-13-23/h1-2,4-7,14,22H,3,8-13H2,(H2,21,25)
InChIKeyURBIUDSMWCFZNO-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.68
Rot. Bonds5

About 10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide

10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide (PubChem CID 25008399) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide.

Molecular Properties

Compound Name10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide
PubChem CID25008399
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2
InChIInChI=1S/C20H24N4OS/c21-20(25)15-6-7-19-17(14-15)24(16-4-1-2-5-18(16)26-19)11-3-10-23-12-8-22-9-13-23/h1-2,4-7,14,22H,3,8-13H2,(H2,21,25)
InChIKeyURBIUDSMWCFZNO-UHFFFAOYSA-N
XLogP2.68
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide?
The IUPAC name of 10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide (CID 25008399) is 10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide.
What is the SMILES notation for 10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide?
The canonical SMILES for 10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide is NC(=O)c1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2.
What is the InChIKey of 10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide?
The InChIKey is URBIUDSMWCFZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c21-20(25)15-6-7-19-17(14-15)24(16-4-1-2-5-18(16)26-19)11-3-10-23-12-8-22-9-13-23/h1-2,4-7,14,22H,3,8-13H2,(H2,21,25).
What are the key properties of 10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide?
10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide is sourced from PubChem (CID 25008399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).