2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

C22H28N8O4S2 — CID 123350456

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCCC1=O)Nc1nnc(C2CCCC(c3nnc(NC(=O)CN4CCCC4=O)s3)C2)s1
InChIInChI=1S/C22H28N8O4S2/c31-15(11-29-8-2-6-17(29)33)23-21-27-25-19(35-21)13-4-1-5-14(10-13)20-26-28-22(36-20)24-16(32)12-30-9-3-7-18(30)34/h13-14H,1-12H2,(H,23,27,31)(H,24,28,32)
InChIKeyLYSUFMAARCDMKT-UHFFFAOYSA-N
MW532.65 g/mol
LogP1.95
Rot. Bonds8

About 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 123350456) has the molecular formula C22H28N8O4S2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID123350456
Molecular FormulaC22H28N8O4S2
Molecular Weight532.65 g/mol
Exact Mass532.17
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCCC1=O)Nc1nnc(C2CCCC(c3nnc(NC(=O)CN4CCCC4=O)s3)C2)s1
InChIInChI=1S/C22H28N8O4S2/c31-15(11-29-8-2-6-17(29)33)23-21-27-25-19(35-21)13-4-1-5-14(10-13)20-26-28-22(36-20)24-16(32)12-30-9-3-7-18(30)34/h13-14H,1-12H2,(H,23,27,31)(H,24,28,32)
InChIKeyLYSUFMAARCDMKT-UHFFFAOYSA-N
XLogP1.95
TPSA150.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.65
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 123350456) is 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(CN1CCCC1=O)Nc1nnc(C2CCCC(c3nnc(NC(=O)CN4CCCC4=O)s3)C2)s1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LYSUFMAARCDMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O4S2/c31-15(11-29-8-2-6-17(29)33)23-21-27-25-19(35-21)13-4-1-5-14(10-13)20-26-28-22(36-20)24-16(32)12-30-9-3-7-18(30)34/h13-14H,1-12H2,(H,23,27,31)(H,24,28,32).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 532.65 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 123350456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).