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

C14H12N4OS4 — CID 2286994

IUPAC2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCSc1nsc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C14H12N4OS4/c1-20-13-17-14(23-18-13)22-8-11(19)16-12-15-10(7-21-12)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,15,16,19)
InChIKeyRHOASMMPCOHOBE-UHFFFAOYSA-N
MW380.55 g/mol
LogP4.11
Rot. Bonds6

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

2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2286994) has the molecular formula C14H12N4OS4 and a molecular weight of 380.55 g/mol. Its IUPAC name is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2286994
Molecular FormulaC14H12N4OS4
Molecular Weight380.55 g/mol
Exact Mass379.99
IUPAC Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCSc1nsc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C14H12N4OS4/c1-20-13-17-14(23-18-13)22-8-11(19)16-12-15-10(7-21-12)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,15,16,19)
InChIKeyRHOASMMPCOHOBE-UHFFFAOYSA-N
XLogP4.11
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2286994) is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CSc1nsc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1.
What is the InChIKey of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RHOASMMPCOHOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS4/c1-20-13-17-14(23-18-13)22-8-11(19)16-12-15-10(7-21-12)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,15,16,19).
What are the key properties of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 380.55 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2286994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).