2-ethoxy-1-phenylphenothiazin-3-imine

C20H16N2OS — CID 151552784

IUPAC2-ethoxy-1-phenylphenothiazin-3-imine
SMILES[H]/N=c1\cc2sc3ccccc3nc-2c(-c2ccccc2)c1OCC
InChIInChI=1S/C20H16N2OS/c1-2-23-20-14(21)12-17-19(18(20)13-8-4-3-5-9-13)22-15-10-6-7-11-16(15)24-17/h3-12,21H,2H2,1H3/b21-14+
InChIKeyQAVMRDHNNPPYPB-KGENOOAVSA-N
MW332.43 g/mol
LogP4.95
Rot. Bonds3

About 2-ethoxy-1-phenylphenothiazin-3-imine

2-ethoxy-1-phenylphenothiazin-3-imine (PubChem CID 151552784) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-ethoxy-1-phenylphenothiazin-3-imine.

Molecular Properties

Compound Name2-ethoxy-1-phenylphenothiazin-3-imine
PubChem CID151552784
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name2-ethoxy-1-phenylphenothiazin-3-imine
SMILES[H]/N=c1\cc2sc3ccccc3nc-2c(-c2ccccc2)c1OCC
InChIInChI=1S/C20H16N2OS/c1-2-23-20-14(21)12-17-19(18(20)13-8-4-3-5-9-13)22-15-10-6-7-11-16(15)24-17/h3-12,21H,2H2,1H3/b21-14+
InChIKeyQAVMRDHNNPPYPB-KGENOOAVSA-N
XLogP4.95
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-Benzylidene-3-n-butoxy-2H-1,4-benzothiazine
CID 139050519
3-Ethoxy-2-methyl-4-phenyl-1,5-benzothiazepine
CID 337949
1H-Phenothiazine, 2,3-dihydro-4-methyl-2-phenyl-
CID 625981
3-ethoxy-2-phenyl-2H-1,4-benzothiazine
CID 85730269
N-(4-ethylphenyl)phenothiazin-3-imine
CID 10149706
6,13-Diethoxy-[1,4]benzothiazino[2,3-b]phenothiazine
CID 85687278
1-Methoxy-2,4,7-trimethyl-3-methylidenephenothiazine
CID 118881013
1,2-dimethoxy-4,8-dimethyl-3H-phenothiazine
CID 137437136
6,13-Bis[2-(2-methoxyethoxy)ethoxy]-[1,4]benzothiazino[2,3-b]phenothiazine
CID 144783549
2-ethyl-N-(3-prop-1-en-2-ylphenyl)phenothiazin-3-imine
CID 145359428
1-ethoxy-N-phenylphenothiazin-3-imine
CID 145723220
(2-Ethoxy-7-methylphenothiazin-3-ylidene)azanium;oxido sulfite
CID 161221100

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-phenylphenothiazin-3-imine?
The IUPAC name of 2-ethoxy-1-phenylphenothiazin-3-imine (CID 151552784) is 2-ethoxy-1-phenylphenothiazin-3-imine.
What is the SMILES notation for 2-ethoxy-1-phenylphenothiazin-3-imine?
The canonical SMILES for 2-ethoxy-1-phenylphenothiazin-3-imine is [H]/N=c1\cc2sc3ccccc3nc-2c(-c2ccccc2)c1OCC.
What is the InChIKey of 2-ethoxy-1-phenylphenothiazin-3-imine?
The InChIKey is QAVMRDHNNPPYPB-KGENOOAVSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-2-23-20-14(21)12-17-19(18(20)13-8-4-3-5-9-13)22-15-10-6-7-11-16(15)24-17/h3-12,21H,2H2,1H3/b21-14+.
What are the key properties of 2-ethoxy-1-phenylphenothiazin-3-imine?
2-ethoxy-1-phenylphenothiazin-3-imine has a molecular weight of 332.43 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-phenylphenothiazin-3-imine is sourced from PubChem (CID 151552784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).