N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide

C24H20N4O2S — CID 154862079

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)nc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C24H20N4O2S/c1-15-22(18-11-10-16-6-5-7-17(16)14-18)25-24(31-15)26-23(30)20-12-13-21(29)28(27-20)19-8-3-2-4-9-19/h2-4,8-14H,5-7H2,1H3,(H,25,26,30)
InChIKeyUGSVLMIRKHKGLL-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.41
Rot. Bonds4

About N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 154862079) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID154862079
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)nc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C24H20N4O2S/c1-15-22(18-11-10-16-6-5-7-17(16)14-18)25-24(31-15)26-23(30)20-12-13-21(29)28(27-20)19-8-3-2-4-9-19/h2-4,8-14H,5-7H2,1H3,(H,25,26,30)
InChIKeyUGSVLMIRKHKGLL-UHFFFAOYSA-N
XLogP4.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 55630366
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774673
1-methyl-6-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
CID 8023683
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
(2S,5R)-5-(aminomethyl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120792190
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide
CID 167913926
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 97318846
N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31979037
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18276683
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2809893

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 154862079) is N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide is Cc1sc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)nc1-c1ccc2c(c1)CCC2.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is UGSVLMIRKHKGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-15-22(18-11-10-16-6-5-7-17(16)14-18)25-24(31-15)26-23(30)20-12-13-21(29)28(27-20)19-8-3-2-4-9-19/h2-4,8-14H,5-7H2,1H3,(H,25,26,30).
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 154862079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).