N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C8H10N5O2S2+ — CID 53294285

IUPACN-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2c[n+](C)no2)s1
InChIInChI=1S/C8H9N5O2S2/c1-5-10-11-8(17-5)16-4-6(14)9-7-3-13(2)12-15-7/h3H,4H2,1-2H3/p+1
InChIKeyIPQQJZJCAJQPSH-UHFFFAOYSA-O
MW272.34 g/mol
LogP0.39
Rot. Bonds4

About N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 53294285) has the molecular formula C8H10N5O2S2+ and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID53294285
Molecular FormulaC8H10N5O2S2+
Molecular Weight272.34 g/mol
Exact Mass272.03
IUPAC NameN-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2c[n+](C)no2)s1
InChIInChI=1S/C8H9N5O2S2/c1-5-10-11-8(17-5)16-4-6(14)9-7-3-13(2)12-15-7/h3H,4H2,1-2H3/p+1
InChIKeyIPQQJZJCAJQPSH-UHFFFAOYSA-O
XLogP0.39
TPSA84.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2507288
N-(1-hydroxypropan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4668021
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3285055
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyloxadiazol-3-ium-5-yl)acetamide
CID 53294243
N-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2507443
N-(2-aminophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60875606
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2231526
N-(6-methylheptan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47115841
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide
CID 4282626
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 9458694

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 53294285) is N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2c[n+](C)no2)s1.
What is the InChIKey of N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is IPQQJZJCAJQPSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N5O2S2/c1-5-10-11-8(17-5)16-4-6(14)9-7-3-13(2)12-15-7/h3H,4H2,1-2H3/p+1.
What are the key properties of N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 272.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxadiazol-3-ium-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 53294285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).