N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C21H16N4O2S — CID 23609446

IUPACN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCc1csc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)n1
InChIInChI=1S/C21H16N4O2S/c1-13-12-28-21(22-13)23-19(26)17-16(14-8-4-2-5-9-14)18(24-25-20(17)27)15-10-6-3-7-11-15/h2-12H,1H3,(H,25,27)(H,22,23,26)
InChIKeyPCKXYZRZSXYOQX-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.12
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 23609446) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID23609446
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCc1csc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)n1
InChIInChI=1S/C21H16N4O2S/c1-13-12-28-21(22-13)23-19(26)17-16(14-8-4-2-5-9-14)18(24-25-20(17)27)15-10-6-3-7-11-15/h2-12H,1H3,(H,25,27)(H,22,23,26)
InChIKeyPCKXYZRZSXYOQX-UHFFFAOYSA-N
XLogP4.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 23609446) is N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is Cc1csc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is PCKXYZRZSXYOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c1-13-12-28-21(22-13)23-19(26)17-16(14-8-4-2-5-9-14)18(24-25-20(17)27)15-10-6-3-7-11-15/h2-12H,1H3,(H,25,27)(H,22,23,26).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 23609446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).