2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

C22H28N6O3S2 — CID 121070091

IUPAC2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(N2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)s1
InChIInChI=1S/C22H28N6O3S2/c1-15(2)23-18(29)14-32-22-25-24-21(33-22)27-10-8-26(9-11-27)20(31)16-12-19(30)28(13-16)17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,23,29)
InChIKeyGIRZJURLTKXBLW-UHFFFAOYSA-N
MW488.64 g/mol
LogP1.86
Rot. Bonds7

About 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 121070091) has the molecular formula C22H28N6O3S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
PubChem CID121070091
Molecular FormulaC22H28N6O3S2
Molecular Weight488.64 g/mol
Exact Mass488.17
IUPAC Name2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(N2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)s1
InChIInChI=1S/C22H28N6O3S2/c1-15(2)23-18(29)14-32-22-25-24-21(33-22)27-10-8-26(9-11-27)20(31)16-12-19(30)28(13-16)17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,23,29)
InChIKeyGIRZJURLTKXBLW-UHFFFAOYSA-N
XLogP1.86
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

N-cyclopentyl-2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 121070089
1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42568689
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 30865258
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
N-(2-methyl-4-oxopentan-3-yl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 86827419
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(3S)-N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 41105895
2-[[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 30865086
2-[4-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 42949145
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (CID 121070091) is 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)s1.
What is the InChIKey of 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is GIRZJURLTKXBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S2/c1-15(2)23-18(29)14-32-22-25-24-21(33-22)27-10-8-26(9-11-27)20(31)16-12-19(30)28(13-16)17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,23,29).
What are the key properties of 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 488.64 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 121070091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).