1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid

C19H24N2O4S — CID 174754364

IUPAC1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid
SMILESCC(CN1c2ccccc2SC2C=CC=CC21)N(C)C.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2S.C2H2O4/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;3-1(4)2(5)6/h4-11,13-14,16H,12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKOERKCPEVMJCHA-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.57
Rot. Bonds3

About 1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid

1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid (PubChem CID 174754364) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid.

Molecular Properties

Compound Name1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid
PubChem CID174754364
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid
SMILESCC(CN1c2ccccc2SC2C=CC=CC21)N(C)C.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2S.C2H2O4/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;3-1(4)2(5)6/h4-11,13-14,16H,12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKOERKCPEVMJCHA-UHFFFAOYSA-N
XLogP2.57
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid?
The IUPAC name of 1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid (CID 174754364) is 1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid.
What is the SMILES notation for 1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid?
The canonical SMILES for 1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid is CC(CN1c2ccccc2SC2C=CC=CC21)N(C)C.O=C(O)C(=O)O.
What is the InChIKey of 1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid?
The InChIKey is KOERKCPEVMJCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S.C2H2O4/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;3-1(4)2(5)6/h4-11,13-14,16H,12H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid?
1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid has a molecular weight of 376.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid is sourced from PubChem (CID 174754364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).