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

C10H13N5OS4 — CID 2992128

IUPAC2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCSc1nsc(SCC(=O)Nc2nnc(C(C)C)s2)n1
InChIInChI=1S/C10H13N5OS4/c1-5(2)7-13-14-8(19-7)11-6(16)4-18-10-12-9(17-3)15-20-10/h5H,4H2,1-3H3,(H,11,14,16)
InChIKeyPXFQZUUNDUSLEI-UHFFFAOYSA-N
MW347.52 g/mol
LogP2.97
Rot. Bonds6

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

2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2992128) has the molecular formula C10H13N5OS4 and a molecular weight of 347.52 g/mol. Its IUPAC name is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2992128
Molecular FormulaC10H13N5OS4
Molecular Weight347.52 g/mol
Exact Mass347.00
IUPAC Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCSc1nsc(SCC(=O)Nc2nnc(C(C)C)s2)n1
InChIInChI=1S/C10H13N5OS4/c1-5(2)7-13-14-8(19-7)11-6(16)4-18-10-12-9(17-3)15-20-10/h5H,4H2,1-3H3,(H,11,14,16)
InChIKeyPXFQZUUNDUSLEI-UHFFFAOYSA-N
XLogP2.97
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 2992128) is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CSc1nsc(SCC(=O)Nc2nnc(C(C)C)s2)n1.
What is the InChIKey of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PXFQZUUNDUSLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS4/c1-5(2)7-13-14-8(19-7)11-6(16)4-18-10-12-9(17-3)15-20-10/h5H,4H2,1-3H3,(H,11,14,16).
What are the key properties of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 347.52 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2992128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).