N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C21H23N5O3S — CID 51043250

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)Nc3nnc(C4CCCCC4)s3)n2)c1
InChIInChI=1S/C21H23N5O3S/c1-29-16-9-5-8-15(12-16)17-10-11-19(28)26(25-17)13-18(27)22-21-24-23-20(30-21)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H,22,24,27)
InChIKeyMXGAADMEOUJCES-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.46
Rot. Bonds6

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 51043250) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID51043250
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)Nc3nnc(C4CCCCC4)s3)n2)c1
InChIInChI=1S/C21H23N5O3S/c1-29-16-9-5-8-15(12-16)17-10-11-19(28)26(25-17)13-18(27)22-21-24-23-20(30-21)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H,22,24,27)
InChIKeyMXGAADMEOUJCES-UHFFFAOYSA-N
XLogP3.46
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 51044347
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195002
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938931
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051851
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 51044931
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3224469
N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044455
N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885182
N-cycloheptyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885237
N-(2,5-difluorophenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051849
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 51052238

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 51043250) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1cccc(-c2ccc(=O)n(CC(=O)Nc3nnc(C4CCCCC4)s3)n2)c1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is MXGAADMEOUJCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-29-16-9-5-8-15(12-16)17-10-11-19(28)26(25-17)13-18(27)22-21-24-23-20(30-21)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H,22,24,27).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 51043250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).