N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine

C19H13N5O2S — CID 108779413

IUPACN-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cccc(-c2ccc(Nc3nc(-c4ccccc4)cs3)nn2)c1
InChIInChI=1S/C19H13N5O2S/c25-24(26)15-8-4-7-14(11-15)16-9-10-18(23-22-16)21-19-20-17(12-27-19)13-5-2-1-3-6-13/h1-12H,(H,20,21,23)
InChIKeyYYBVYANWBYVZFN-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.92
Rot. Bonds5

About N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine

N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 108779413) has the molecular formula C19H13N5O2S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID108779413
Molecular FormulaC19H13N5O2S
Molecular Weight375.41 g/mol
Exact Mass375.08
IUPAC NameN-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cccc(-c2ccc(Nc3nc(-c4ccccc4)cs3)nn2)c1
InChIInChI=1S/C19H13N5O2S/c25-24(26)15-8-4-7-14(11-15)16-9-10-18(23-22-16)21-19-20-17(12-27-19)13-5-2-1-3-6-13/h1-12H,(H,20,21,23)
InChIKeyYYBVYANWBYVZFN-UHFFFAOYSA-N
XLogP4.92
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 57406324
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
6-fluoro-N-[6-(3-nitrophenyl)pyridazin-3-yl]-1,3-benzothiazol-2-amine
CID 108775964
2-nitro-6-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 3110581
N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 2959231
carbanide;ethane;iron;4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156795672
(2S)-2-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 2384514
4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile
CID 57406323
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
[2-[[6-(3-nitrophenyl)pyridazin-3-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
CID 108771500
2-methyl-5-nitro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 60594278

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine (CID 108779413) is N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine is O=[N+]([O-])c1cccc(-c2ccc(Nc3nc(-c4ccccc4)cs3)nn2)c1.
What is the InChIKey of N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is YYBVYANWBYVZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2S/c25-24(26)15-8-4-7-14(11-15)16-9-10-18(23-22-16)21-19-20-17(12-27-19)13-5-2-1-3-6-13/h1-12H,(H,20,21,23).
What are the key properties of N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine?
N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 375.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 108779413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).