3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine

C25H35N5S — CID 90281862

IUPAC3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine
SMILESCC(C)c1cc(N2CCN(C)CC2)cc2c1Nc1ccc(N3CCN(C)CC3)cc1S2
InChIInChI=1S/C25H35N5S/c1-18(2)21-15-20(30-13-9-28(4)10-14-30)17-24-25(21)26-22-6-5-19(16-23(22)31-24)29-11-7-27(3)8-12-29/h5-6,15-18,26H,7-14H2,1-4H3
InChIKeyFOPJMVYCEUHVOW-UHFFFAOYSA-N
MW437.66 g/mol
LogP4.52
Rot. Bonds3

About 3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine

3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine (PubChem CID 90281862) has the molecular formula C25H35N5S and a molecular weight of 437.66 g/mol. Its IUPAC name is 3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine.

Molecular Properties

Compound Name3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine
PubChem CID90281862
Molecular FormulaC25H35N5S
Molecular Weight437.66 g/mol
Exact Mass437.26
IUPAC Name3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine
SMILESCC(C)c1cc(N2CCN(C)CC2)cc2c1Nc1ccc(N3CCN(C)CC3)cc1S2
InChIInChI=1S/C25H35N5S/c1-18(2)21-15-20(30-13-9-28(4)10-14-30)17-24-25(21)26-22-6-5-19(16-23(22)31-24)29-11-7-27(3)8-12-29/h5-6,15-18,26H,7-14H2,1-4H3
InChIKeyFOPJMVYCEUHVOW-UHFFFAOYSA-N
XLogP4.52
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.66
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine?
The IUPAC name of 3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine (CID 90281862) is 3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine.
What is the SMILES notation for 3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine?
The canonical SMILES for 3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine is CC(C)c1cc(N2CCN(C)CC2)cc2c1Nc1ccc(N3CCN(C)CC3)cc1S2.
What is the InChIKey of 3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine?
The InChIKey is FOPJMVYCEUHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5S/c1-18(2)21-15-20(30-13-9-28(4)10-14-30)17-24-25(21)26-22-6-5-19(16-23(22)31-24)29-11-7-27(3)8-12-29/h5-6,15-18,26H,7-14H2,1-4H3.
What are the key properties of 3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine?
3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine has a molecular weight of 437.66 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine is sourced from PubChem (CID 90281862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).