2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C14H11N3OS3 — CID 2564305

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)Nc1nccs1
InChIInChI=1S/C14H11N3OS3/c18-12(17-13-15-6-7-19-13)9-21-14-16-11(8-20-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,15,17,18)
InChIKeySJKDWTKQDUPHTR-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.00
Rot. Bonds5

About 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2564305) has the molecular formula C14H11N3OS3 and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2564305
Molecular FormulaC14H11N3OS3
Molecular Weight333.46 g/mol
Exact Mass333.01
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)Nc1nccs1
InChIInChI=1S/C14H11N3OS3/c18-12(17-13-15-6-7-19-13)9-21-14-16-11(8-20-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,15,17,18)
InChIKeySJKDWTKQDUPHTR-UHFFFAOYSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-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-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 2564305) is 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc(-c2ccccc2)cs1)Nc1nccs1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SJKDWTKQDUPHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS3/c18-12(17-13-15-6-7-19-13)9-21-14-16-11(8-20-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,15,17,18).
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2564305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).