N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C20H18N6O2S2 — CID 4903453

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1c(NC(=O)CSc2nnc(-c3ccncc3)s2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H18N6O2S2/c1-13-17(19(28)26(25(13)2)15-6-4-3-5-7-15)22-16(27)12-29-20-24-23-18(30-20)14-8-10-21-11-9-14/h3-11H,12H2,1-2H3,(H,22,27)
InChIKeySIYPMLONWGTHTC-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.13
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4903453) has the molecular formula C20H18N6O2S2 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID4903453
Molecular FormulaC20H18N6O2S2
Molecular Weight438.54 g/mol
Exact Mass438.09
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1c(NC(=O)CSc2nnc(-c3ccncc3)s2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H18N6O2S2/c1-13-17(19(28)26(25(13)2)15-6-4-3-5-7-15)22-16(27)12-29-20-24-23-18(30-20)14-8-10-21-11-9-14/h3-11H,12H2,1-2H3,(H,22,27)
InChIKeySIYPMLONWGTHTC-UHFFFAOYSA-N
XLogP3.13
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide 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-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 985820
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799589
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 55482768
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3326731
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135963883
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 19726752
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 23611356
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19729856
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 4848089
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 16513874
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[4-ethyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19719417

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 4903453) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1c(NC(=O)CSc2nnc(-c3ccncc3)s2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SIYPMLONWGTHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S2/c1-13-17(19(28)26(25(13)2)15-6-4-3-5-7-15)22-16(27)12-29-20-24-23-18(30-20)14-8-10-21-11-9-14/h3-11H,12H2,1-2H3,(H,22,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 438.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4903453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).