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

C22H18N4O2S — CID 16957838

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCc1nc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)sc1C
InChIInChI=1S/C22H18N4O2S/c1-13-14(2)29-22(23-13)24-20(27)18-17(15-9-5-3-6-10-15)19(25-26-21(18)28)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,26,28)(H,23,24,27)
InChIKeyQDAVGYRDDMAUES-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.43
Rot. Bonds4

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 16957838) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID16957838
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCc1nc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)sc1C
InChIInChI=1S/C22H18N4O2S/c1-13-14(2)29-22(23-13)24-20(27)18-17(15-9-5-3-6-10-15)19(25-26-21(18)28)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,26,28)(H,23,24,27)
InChIKeyQDAVGYRDDMAUES-UHFFFAOYSA-N
XLogP4.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 16957838) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is Cc1nc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is QDAVGYRDDMAUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-13-14(2)29-22(23-13)24-20(27)18-17(15-9-5-3-6-10-15)19(25-26-21(18)28)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,26,28)(H,23,24,27).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 16957838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).