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

C14H12N4OS3 — CID 3243410

IUPAC2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)Nc3nccs3)n2)c1
InChIInChI=1S/C14H12N4OS3/c1-9-3-2-4-10(7-9)12-17-14(22-18-12)21-8-11(19)16-13-15-5-6-20-13/h2-7H,8H2,1H3,(H,15,16,19)
InChIKeyFGCTVHYPFJQCBH-UHFFFAOYSA-N
MW348.48 g/mol
LogP3.70
Rot. Bonds5

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

2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3243410) has the molecular formula C14H12N4OS3 and a molecular weight of 348.48 g/mol. Its IUPAC name is 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3243410
Molecular FormulaC14H12N4OS3
Molecular Weight348.48 g/mol
Exact Mass348.02
IUPAC Name2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)Nc3nccs3)n2)c1
InChIInChI=1S/C14H12N4OS3/c1-9-3-2-4-10(7-9)12-17-14(22-18-12)21-8-11(19)16-13-15-5-6-20-13/h2-7H,8H2,1H3,(H,15,16,19)
InChIKeyFGCTVHYPFJQCBH-UHFFFAOYSA-N
XLogP3.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 3243410) is 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cccc(-c2nsc(SCC(=O)Nc3nccs3)n2)c1.
What is the InChIKey of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FGCTVHYPFJQCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS3/c1-9-3-2-4-10(7-9)12-17-14(22-18-12)21-8-11(19)16-13-15-5-6-20-13/h2-7H,8H2,1H3,(H,15,16,19).
What are the key properties of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 348.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3243410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).