N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

C15H18N4O2S3 — CID 646024

IUPACN-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(SCC(=O)N2CCCCC2)s1
InChIInChI=1S/C15H18N4O2S3/c20-12(9-11-5-4-8-22-11)16-14-17-18-15(24-14)23-10-13(21)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9-10H2,(H,16,17,20)
InChIKeyTXOXSNDSUSALLC-UHFFFAOYSA-N
MW382.54 g/mol
LogP2.89
Rot. Bonds6

About N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 646024) has the molecular formula C15H18N4O2S3 and a molecular weight of 382.54 g/mol. Its IUPAC name is N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID646024
Molecular FormulaC15H18N4O2S3
Molecular Weight382.54 g/mol
Exact Mass382.06
IUPAC NameN-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(SCC(=O)N2CCCCC2)s1
InChIInChI=1S/C15H18N4O2S3/c20-12(9-11-5-4-8-22-11)16-14-17-18-15(24-14)23-10-13(21)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9-10H2,(H,16,17,20)
InChIKeyTXOXSNDSUSALLC-UHFFFAOYSA-N
XLogP2.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 646024) is N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nnc(SCC(=O)N2CCCCC2)s1.
What is the InChIKey of N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is TXOXSNDSUSALLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S3/c20-12(9-11-5-4-8-22-11)16-14-17-18-15(24-14)23-10-13(21)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9-10H2,(H,16,17,20).
What are the key properties of N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 382.54 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 646024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).