2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide

C14H16N4O3S3 — CID 4022478

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H16N4O3S3/c19-12(15-11-6-7-24(20,21)9-11)8-22-14-18-17-13(23-14)16-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,19)(H,16,17)
InChIKeyICUHPSUTBUJBKG-UHFFFAOYSA-N
MW384.51 g/mol
LogP1.68
Rot. Bonds6

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4022478) has the molecular formula C14H16N4O3S3 and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID4022478
Molecular FormulaC14H16N4O3S3
Molecular Weight384.51 g/mol
Exact Mass384.04
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H16N4O3S3/c19-12(15-11-6-7-24(20,21)9-11)8-22-14-18-17-13(23-14)16-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,19)(H,16,17)
InChIKeyICUHPSUTBUJBKG-UHFFFAOYSA-N
XLogP1.68
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-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-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 4022478) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CSc1nnc(Nc2ccccc2)s1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is ICUHPSUTBUJBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S3/c19-12(15-11-6-7-24(20,21)9-11)8-22-14-18-17-13(23-14)16-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,19)(H,16,17).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 384.51 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4022478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).