6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one

C24H28N6O3S — CID 108809205

IUPAC6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
SMILESCc1cccc(-n2nc(C(=O)N3CCN(c4nnc(C5CCCCC5)s4)CC3)c(O)cc2=O)c1
InChIInChI=1S/C24H28N6O3S/c1-16-6-5-9-18(14-16)30-20(32)15-19(31)21(27-30)23(33)28-10-12-29(13-11-28)24-26-25-22(34-24)17-7-3-2-4-8-17/h5-6,9,14-15,17,31H,2-4,7-8,10-13H2,1H3
InChIKeyIJHPGPBBIDJORV-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.11
Rot. Bonds4

About 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one

6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one (PubChem CID 108809205) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
PubChem CID108809205
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one
SMILESCc1cccc(-n2nc(C(=O)N3CCN(c4nnc(C5CCCCC5)s4)CC3)c(O)cc2=O)c1
InChIInChI=1S/C24H28N6O3S/c1-16-6-5-9-18(14-16)30-20(32)15-19(31)21(27-30)23(33)28-10-12-29(13-11-28)24-26-25-22(34-24)17-7-3-2-4-8-17/h5-6,9,14-15,17,31H,2-4,7-8,10-13H2,1H3
InChIKeyIJHPGPBBIDJORV-UHFFFAOYSA-N
XLogP3.11
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one 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

5-hydroxy-2-(3-methylphenyl)-6-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 108809260
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108729749
methyl 2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]benzoate
CID 108729734
[2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 108753417
[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 108729776
[4-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl] acetate
CID 108729633
6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
CID 27049012
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylprop-2-en-1-one
CID 108729648
[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753398
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-4-(2-methoxy-5-methylphenyl)butane-1,4-dione
CID 108729726
2-chloro-1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 108729706
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 16599689

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one (CID 108809205) is 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one is Cc1cccc(-n2nc(C(=O)N3CCN(c4nnc(C5CCCCC5)s4)CC3)c(O)cc2=O)c1.
What is the InChIKey of 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one?
The InChIKey is IJHPGPBBIDJORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-16-6-5-9-18(14-16)30-20(32)15-19(31)21(27-30)23(33)28-10-12-29(13-11-28)24-26-25-22(34-24)17-7-3-2-4-8-17/h5-6,9,14-15,17,31H,2-4,7-8,10-13H2,1H3.
What are the key properties of 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one?
6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one has a molecular weight of 480.59 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5-hydroxy-2-(3-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 108809205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).