2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C11H8N4O2S2 — CID 6484046

IUPAC2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1nncs1
InChIInChI=1S/C11H8N4O2S2/c16-9(13-10-14-12-6-18-10)5-15-7-3-1-2-4-8(7)19-11(15)17/h1-4,6H,5H2,(H,13,14,16)
InChIKeyOEMJRPSCARWMPE-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.55
Rot. Bonds3

About 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6484046) has the molecular formula C11H8N4O2S2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6484046
Molecular FormulaC11H8N4O2S2
Molecular Weight292.35 g/mol
Exact Mass292.01
IUPAC Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1nncs1
InChIInChI=1S/C11H8N4O2S2/c16-9(13-10-14-12-6-18-10)5-15-7-3-1-2-4-8(7)19-11(15)17/h1-4,6H,5H2,(H,13,14,16)
InChIKeyOEMJRPSCARWMPE-UHFFFAOYSA-N
XLogP1.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2090004
2-(2-Oxo-benzothiazol-3-yl)-N-(5-propyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 649795
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
CID 4609969
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
CID 3163781
1-[(2-Sulfanylidene-1,3-benzothiazol-3-yl)sulfonyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 398810
3-[3-[[5-[4-(Difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione
CID 55857616
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
CID 767834
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
CID 3159010
N-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
CID 6484049
2-(2-oxo-1,3-benzothiazol-3(2H)-yl)-N-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 6484080
2-(2-oxo-1,3-benzothiazol-3(2H)-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6484284
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
CID 6484286

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 6484046) is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(Cn1c(=O)sc2ccccc21)Nc1nncs1.
What is the InChIKey of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OEMJRPSCARWMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S2/c16-9(13-10-14-12-6-18-10)5-15-7-3-1-2-4-8(7)19-11(15)17/h1-4,6H,5H2,(H,13,14,16).
What are the key properties of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 292.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6484046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).