2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C11H12N4O2S3 — CID 3220525

IUPAC2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
InChIInChI=1S/C11H12N4O2S3/c1-7(16)13-10-14-15-11(20-10)19-6-9(17)12-5-8-3-2-4-18-8/h2-4H,5-6H2,1H3,(H,12,17)(H,13,14,16)
InChIKeyURTGNNFZJJSMSM-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.97
Rot. Bonds6

About 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3220525) has the molecular formula C11H12N4O2S3 and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3220525
Molecular FormulaC11H12N4O2S3
Molecular Weight328.44 g/mol
Exact Mass328.01
IUPAC Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
InChIInChI=1S/C11H12N4O2S3/c1-7(16)13-10-14-15-11(20-10)19-6-9(17)12-5-8-3-2-4-18-8/h2-4H,5-6H2,1H3,(H,12,17)(H,13,14,16)
InChIKeyURTGNNFZJJSMSM-UHFFFAOYSA-N
XLogP1.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
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 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 3220525) is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is CC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1.
What is the InChIKey of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is URTGNNFZJJSMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S3/c1-7(16)13-10-14-15-11(20-10)19-6-9(17)12-5-8-3-2-4-18-8/h2-4H,5-6H2,1H3,(H,12,17)(H,13,14,16).
What are the key properties of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3220525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).