N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine

C23H29F3N4O2S — CID 66562547

IUPACN,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine
SMILESCOCCN(CCOC)c1cc2c(cc1C(F)(F)F)Nc1ccc(N3CCNCC3)cc1S2
InChIInChI=1S/C23H29F3N4O2S/c1-31-11-9-30(10-12-32-2)20-15-22-19(14-17(20)23(24,25)26)28-18-4-3-16(13-21(18)33-22)29-7-5-27-6-8-29/h3-4,13-15,27-28H,5-12H2,1-2H3
InChIKeyUGUCHVLUUSMZEB-UHFFFAOYSA-N
MW482.57 g/mol
LogP4.42
Rot. Bonds8

About N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine

N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine (PubChem CID 66562547) has the molecular formula C23H29F3N4O2S and a molecular weight of 482.57 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine
PubChem CID66562547
Molecular FormulaC23H29F3N4O2S
Molecular Weight482.57 g/mol
Exact Mass482.20
IUPAC NameN,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine
SMILESCOCCN(CCOC)c1cc2c(cc1C(F)(F)F)Nc1ccc(N3CCNCC3)cc1S2
InChIInChI=1S/C23H29F3N4O2S/c1-31-11-9-30(10-12-32-2)20-15-22-19(14-17(20)23(24,25)26)28-18-4-3-16(13-21(18)33-22)29-7-5-27-6-8-29/h3-4,13-15,27-28H,5-12H2,1-2H3
InChIKeyUGUCHVLUUSMZEB-UHFFFAOYSA-N
XLogP4.42
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine (CID 66562547) is N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine is COCCN(CCOC)c1cc2c(cc1C(F)(F)F)Nc1ccc(N3CCNCC3)cc1S2.
What is the InChIKey of N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine?
The InChIKey is UGUCHVLUUSMZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O2S/c1-31-11-9-30(10-12-32-2)20-15-22-19(14-17(20)23(24,25)26)28-18-4-3-16(13-21(18)33-22)29-7-5-27-6-8-29/h3-4,13-15,27-28H,5-12H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine?
N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine has a molecular weight of 482.57 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine is sourced from PubChem (CID 66562547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).