N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C21H21N3O2S — CID 41252977

IUPACN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)N[C@H]3CCSc4ccccc43)CCC2=O)c1
InChIInChI=1S/C21H21N3O2S/c1-14-5-4-6-15(13-14)24-20(25)10-9-18(23-24)21(26)22-17-11-12-27-19-8-3-2-7-16(17)19/h2-8,13,17H,9-12H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyMJXQDZIYQWQDCY-KRWDZBQOSA-N
MW379.49 g/mol
LogP3.83
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 41252977) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID41252977
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)N[C@H]3CCSc4ccccc43)CCC2=O)c1
InChIInChI=1S/C21H21N3O2S/c1-14-5-4-6-15(13-14)24-20(25)10-9-18(23-24)21(26)22-17-11-12-27-19-8-3-2-7-16(17)19/h2-8,13,17H,9-12H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyMJXQDZIYQWQDCY-KRWDZBQOSA-N
XLogP3.83
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-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-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 42921903
N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47010097
1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 26955609
N-(4-cyanophenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26698462
N-[2-(dimethylcarbamoyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55613221
N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
CID 26854717
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylbenzamide
CID 80958800
N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24616917
N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941051
N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 134016651
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 41410768
N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 41252977) is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(N2N=C(C(=O)N[C@H]3CCSc4ccccc43)CCC2=O)c1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is MJXQDZIYQWQDCY-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-5-4-6-15(13-14)24-20(25)10-9-18(23-24)21(26)22-17-11-12-27-19-8-3-2-7-16(17)19/h2-8,13,17H,9-12H2,1H3,(H,22,26)/t17-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 41252977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).