2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C10H8N6O2S3 — CID 15944860

IUPAC2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nnc2sc(SCC(=O)Nc3nccs3)nn2c1=O
InChIInChI=1S/C10H8N6O2S3/c1-5-7(18)16-9(14-13-5)21-10(15-16)20-4-6(17)12-8-11-2-3-19-8/h2-3H,4H2,1H3,(H,11,12,17)
InChIKeyPJJASBCDJTUNAN-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.04
Rot. Bonds4

About 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 15944860) has the molecular formula C10H8N6O2S3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID15944860
Molecular FormulaC10H8N6O2S3
Molecular Weight340.42 g/mol
Exact Mass339.99
IUPAC Name2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nnc2sc(SCC(=O)Nc3nccs3)nn2c1=O
InChIInChI=1S/C10H8N6O2S3/c1-5-7(18)16-9(14-13-5)21-10(15-16)20-4-6(17)12-8-11-2-3-19-8/h2-3H,4H2,1H3,(H,11,12,17)
InChIKeyPJJASBCDJTUNAN-UHFFFAOYSA-N
XLogP1.04
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 2834959
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 2994565
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 7184028
2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-1,3-thiazol-2-ylbutanamide
CID 2952251
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-1,3-thiazol-2-ylpropanamide
CID 2994444
2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(thiazol-2-yl)acetamide
CID 7196830
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 649689
3-hydrazinyl-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 3649290
2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 4051685
N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)pivalamide
CID 4135527
2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 135473895
N-(1,3-Thiazol-2-yl)propanamide
CID 247650

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 15944860) is 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1nnc2sc(SCC(=O)Nc3nccs3)nn2c1=O.
What is the InChIKey of 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PJJASBCDJTUNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2S3/c1-5-7(18)16-9(14-13-5)21-10(15-16)20-4-6(17)12-8-11-2-3-19-8/h2-3H,4H2,1H3,(H,11,12,17).
What are the key properties of 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 15944860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).