N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide

C21H18N6O2S — CID 6075112

IUPACN-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2snnc2C)cc1
InChIInChI=1S/C21H18N6O2S/c1-14-20(30-26-23-14)21(28)24-22-12-16-13-27(17-6-4-3-5-7-17)25-19(16)15-8-10-18(29-2)11-9-15/h3-13H,1-2H3,(H,24,28)/b22-12+
InChIKeyDGVIZPACNYFJDG-WSDLNYQXSA-N
MW418.48 g/mol
LogP3.47
Rot. Bonds6

About N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide

N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide (PubChem CID 6075112) has the molecular formula C21H18N6O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide
PubChem CID6075112
Molecular FormulaC21H18N6O2S
Molecular Weight418.48 g/mol
Exact Mass418.12
IUPAC NameN-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2snnc2C)cc1
InChIInChI=1S/C21H18N6O2S/c1-14-20(30-26-23-14)21(28)24-22-12-16-13-27(17-6-4-3-5-7-17)25-19(16)15-8-10-18(29-2)11-9-15/h3-13H,1-2H3,(H,24,28)/b22-12+
InChIKeyDGVIZPACNYFJDG-WSDLNYQXSA-N
XLogP3.47
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide 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

N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 7976863
4-chloro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 1363818
2-fluoro-N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9236351
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-nitrobenzamide
CID 34306104
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 51061653
4-methoxy-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 3532181
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]hexadecanamide
CID 51061304
N'-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 3553633
N-(3-methoxyphenyl)-N'-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 51061241
4-methoxy-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9231607
1-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea
CID 6882821

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide (CID 6075112) is N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2snnc2C)cc1.
What is the InChIKey of N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide?
The InChIKey is DGVIZPACNYFJDG-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H18N6O2S/c1-14-20(30-26-23-14)21(28)24-22-12-16-13-27(17-6-4-3-5-7-17)25-19(16)15-8-10-18(29-2)11-9-15/h3-13H,1-2H3,(H,24,28)/b22-12+.
What are the key properties of N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide?
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 6075112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).