N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide

C10H12N6O2S2 — CID 2008219

IUPACN-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(CCc2nnc(NC(C)=O)s2)s1
InChIInChI=1S/C10H12N6O2S2/c1-5(17)11-9-15-13-7(19-9)3-4-8-14-16-10(20-8)12-6(2)18/h3-4H2,1-2H3,(H,11,15,17)(H,12,16,18)
InChIKeySVVJYPXIXLMBDK-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.09
Rot. Bonds5

About N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2008219) has the molecular formula C10H12N6O2S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2008219
Molecular FormulaC10H12N6O2S2
Molecular Weight312.38 g/mol
Exact Mass312.05
IUPAC NameN-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(CCc2nnc(NC(C)=O)s2)s1
InChIInChI=1S/C10H12N6O2S2/c1-5(17)11-9-15-13-7(19-9)3-4-8-14-16-10(20-8)12-6(2)18/h3-4H2,1-2H3,(H,11,15,17)(H,12,16,18)
InChIKeySVVJYPXIXLMBDK-UHFFFAOYSA-N
XLogP1.09
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-but-3-ynyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174996359
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
2-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamide
CID 175551949
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-[5-[2-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl-nitroamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2016945
ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate
CID 144633513
N-[5-[2-(4-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 71946087
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 75465114
N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193287
N-[5-[3-[(4-fluorophenyl)sulfanylamino]propyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 155357266
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90165478
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 711646

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 2008219) is N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(CCc2nnc(NC(C)=O)s2)s1.
What is the InChIKey of N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is SVVJYPXIXLMBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S2/c1-5(17)11-9-15-13-7(19-9)3-4-8-14-16-10(20-8)12-6(2)18/h3-4H2,1-2H3,(H,11,15,17)(H,12,16,18).
What are the key properties of N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 312.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2008219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).