N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine

C22H17N5S — CID 6418691

IUPACN-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine
SMILESC/C(=N/Nc1nncc2ccccc12)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C22H17N5S/c1-14(25-27-22-17-7-3-2-6-16(17)13-23-26-22)15-10-11-21-19(12-15)24-18-8-4-5-9-20(18)28-21/h2-13,24H,1H3,(H,26,27)/b25-14-
InChIKeyAIHCWDVZNJOBCI-QFEZKATASA-N
MW383.48 g/mol
LogP5.67
Rot. Bonds3

About N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine

N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine (PubChem CID 6418691) has the molecular formula C22H17N5S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine
PubChem CID6418691
Molecular FormulaC22H17N5S
Molecular Weight383.48 g/mol
Exact Mass383.12
IUPAC NameN-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine
SMILESC/C(=N/Nc1nncc2ccccc12)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C22H17N5S/c1-14(25-27-22-17-7-3-2-6-16(17)13-23-26-22)15-10-11-21-19(12-15)24-18-8-4-5-9-20(18)28-21/h2-13,24H,1H3,(H,26,27)/b25-14-
InChIKeyAIHCWDVZNJOBCI-QFEZKATASA-N
XLogP5.67
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]pyrimidin-2-amine
CID 5199105
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine
CID 6411959
N-[1-(4-methylphenyl)ethylideneamino]phthalazin-1-amine
CID 6795077
N-[(E)-1-(4-methylphenyl)ethylideneamino]phthalazin-1-amine
CID 16553558
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine
CID 6418037
N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine
CID 134814002
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 9074069
2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
CID 3606847
1-methyl-3-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]thiourea
CID 7955538
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine
CID 6414863
N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine
CID 87718779
3-nitro-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
CID 4638584

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine (CID 6418691) is N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine is C/C(=N/Nc1nncc2ccccc12)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine?
The InChIKey is AIHCWDVZNJOBCI-QFEZKATASA-N. The full InChI is InChI=1S/C22H17N5S/c1-14(25-27-22-17-7-3-2-6-16(17)13-23-26-22)15-10-11-21-19(12-15)24-18-8-4-5-9-20(18)28-21/h2-13,24H,1H3,(H,26,27)/b25-14-.
What are the key properties of N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine?
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine has a molecular weight of 383.48 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6418691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).