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

C8H9N5O2S3 — CID 30284861

IUPAC2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1noc(CSc2nnc(SCC(N)=O)s2)n1
InChIInChI=1S/C8H9N5O2S3/c1-4-10-6(15-13-4)3-17-8-12-11-7(18-8)16-2-5(9)14/h2-3H2,1H3,(H2,9,14)
InChIKeyLHHNXQPCVSEMFR-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.10
Rot. Bonds6

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

2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 30284861) has the molecular formula C8H9N5O2S3 and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID30284861
Molecular FormulaC8H9N5O2S3
Molecular Weight303.39 g/mol
Exact Mass302.99
IUPAC Name2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1noc(CSc2nnc(SCC(N)=O)s2)n1
InChIInChI=1S/C8H9N5O2S3/c1-4-10-6(15-13-4)3-17-8-12-11-7(18-8)16-2-5(9)14/h2-3H2,1H3,(H2,9,14)
InChIKeyLHHNXQPCVSEMFR-UHFFFAOYSA-N
XLogP1.10
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

5-Methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 99823918
5-[(5-Methyl-1,2,4-oxadiazol-3-yl)methylthio]-1,3,4-thiadiazole-2-ylamine
CID 1255637
N-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18147224
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 18147284
N-ethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18166440
N-tert-butyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18166508
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 24649702
N-ethyl-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24649724
5-[(3-Butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 25417363
5-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 28782716
5-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 28782721
5-{[(3-Isopropyl-1,2,4-oxadiazol-5-yl)methyl]thio}-1,3,4-thiadiazol-2-amine
CID 29212528

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 30284861) is 2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is Cc1noc(CSc2nnc(SCC(N)=O)s2)n1.
What is the InChIKey of 2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is LHHNXQPCVSEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S3/c1-4-10-6(15-13-4)3-17-8-12-11-7(18-8)16-2-5(9)14/h2-3H2,1H3,(H2,9,14).
What are the key properties of 2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 30284861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).