1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one

C13H19N5O2S2 — CID 77096995

IUPAC1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one
SMILESNc1nnc(SCC(=O)N2CCCC(N3CCCC3=O)C2)s1
InChIInChI=1S/C13H19N5O2S2/c14-12-15-16-13(22-12)21-8-11(20)17-5-1-3-9(7-17)18-6-2-4-10(18)19/h9H,1-8H2,(H2,14,15)
InChIKeyMSFSFEQFSAMKEN-UHFFFAOYSA-N
MW341.46 g/mol
LogP0.83
Rot. Bonds4

About 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one

1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 77096995) has the molecular formula C13H19N5O2S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID77096995
Molecular FormulaC13H19N5O2S2
Molecular Weight341.46 g/mol
Exact Mass341.10
IUPAC Name1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one
SMILESNc1nnc(SCC(=O)N2CCCC(N3CCCC3=O)C2)s1
InChIInChI=1S/C13H19N5O2S2/c14-12-15-16-13(22-12)21-8-11(20)17-5-1-3-9(7-17)18-6-2-4-10(18)19/h9H,1-8H2,(H2,14,15)
InChIKeyMSFSFEQFSAMKEN-UHFFFAOYSA-N
XLogP0.83
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one 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

CID 3394106
CID 3394106
CID 2393399
CID 2393399
CID 2393400
CID 2393400
CID 4805004
CID 4805004
CID 8633179
CID 8633179
CID 8633218
CID 8633218
CID 8633221
CID 8633221
CID 8633678
CID 8633678
CID 8633679
CID 8633679
CID 8633680
CID 8633680
CID 9199510
CID 9199510
CID 9199511
CID 9199511

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one (CID 77096995) is 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one is Nc1nnc(SCC(=O)N2CCCC(N3CCCC3=O)C2)s1.
What is the InChIKey of 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is MSFSFEQFSAMKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S2/c14-12-15-16-13(22-12)21-8-11(20)17-5-1-3-9(7-17)18-6-2-4-10(18)19/h9H,1-8H2,(H2,14,15).
What are the key properties of 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one?
1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 77096995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).