2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C16H17N5O2S — CID 857340

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nnc(C(C)C)s2)c(=O)c2ccccc12
InChIInChI=1S/C16H17N5O2S/c1-9(2)14-18-19-16(24-14)17-13(22)8-21-15(23)12-7-5-4-6-11(12)10(3)20-21/h4-7,9H,8H2,1-3H3,(H,17,19,22)
InChIKeyWBVNAUZGWLLKLI-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.32
Rot. Bonds4

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 857340) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID857340
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nnc(C(C)C)s2)c(=O)c2ccccc12
InChIInChI=1S/C16H17N5O2S/c1-9(2)14-18-19-16(24-14)17-13(22)8-21-15(23)12-7-5-4-6-11(12)10(3)20-21/h4-7,9H,8H2,1-3H3,(H,17,19,22)
InChIKeyWBVNAUZGWLLKLI-UHFFFAOYSA-N
XLogP2.32
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)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-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 2088271
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 3991385
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]cyclohexyl]benzamide
CID 46852579
2-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-N-[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-acetamide
CID 647970
2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 659438
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 715668
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 807012
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide
CID 895804
2-(1,3-dioxoisoindol-2-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1293023
4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1334639
2-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-N-[5-(2-morpholin-4-yl-2-oxo-ethyl)-[1,3,4]thiadiazol-2-yl]-acetamide
CID 1448509
3-(1,3-dioxoisoindol-2-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1579448

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 857340) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nn(CC(=O)Nc2nnc(C(C)C)s2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WBVNAUZGWLLKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9(2)14-18-19-16(24-14)17-13(22)8-21-15(23)12-7-5-4-6-11(12)10(3)20-21/h4-7,9H,8H2,1-3H3,(H,17,19,22).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 857340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).