2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C12H16N2O2S3 — CID 2823406

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CSC1=NCCS1)NCCSCc1ccco1
InChIInChI=1S/C12H16N2O2S3/c15-11(9-19-12-14-4-7-18-12)13-3-6-17-8-10-2-1-5-16-10/h1-2,5H,3-4,6-9H2,(H,13,15)
InChIKeyKUSOWLBQPZKGBH-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.46
Rot. Bonds7

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 2823406) has the molecular formula C12H16N2O2S3 and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID2823406
Molecular FormulaC12H16N2O2S3
Molecular Weight316.47 g/mol
Exact Mass316.04
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CSC1=NCCS1)NCCSCc1ccco1
InChIInChI=1S/C12H16N2O2S3/c15-11(9-19-12-14-4-7-18-12)13-3-6-17-8-10-2-1-5-16-10/h1-2,5H,3-4,6-9H2,(H,13,15)
InChIKeyKUSOWLBQPZKGBH-UHFFFAOYSA-N
XLogP2.46
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]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-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 2823406) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is O=C(CSC1=NCCS1)NCCSCc1ccco1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is KUSOWLBQPZKGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S3/c15-11(9-19-12-14-4-7-18-12)13-3-6-17-8-10-2-1-5-16-10/h1-2,5H,3-4,6-9H2,(H,13,15).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 316.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 2823406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).