[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate

C6H9N5O2S — CID 65211655

IUPAC[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate
SMILES[H]/N=C(\N)SCC(=O)Nc1nnc(C)o1
InChIInChI=1S/C6H9N5O2S/c1-3-10-11-6(13-3)9-4(12)2-14-5(7)8/h2H2,1H3,(H3,7,8)(H,9,11,12)
InChIKeyIUAJMIYOSYGVGO-UHFFFAOYSA-N
MW215.24 g/mol
LogP-0.06
Rot. Bonds3

About [2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate

[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate (PubChem CID 65211655) has the molecular formula C6H9N5O2S and a molecular weight of 215.24 g/mol. Its IUPAC name is [2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate.

Molecular Properties

Compound Name[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate
PubChem CID65211655
Molecular FormulaC6H9N5O2S
Molecular Weight215.24 g/mol
Exact Mass215.05
IUPAC Name[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate
SMILES[H]/N=C(\N)SCC(=O)Nc1nnc(C)o1
InChIInChI=1S/C6H9N5O2S/c1-3-10-11-6(13-3)9-4(12)2-14-5(7)8/h2H2,1H3,(H3,7,8)(H,9,11,12)
InChIKeyIUAJMIYOSYGVGO-UHFFFAOYSA-N
XLogP-0.06
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 39063542
2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 43305123
[2-oxo-2-(propan-2-ylamino)ethyl] carbamimidothioate
CID 65212140
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 63313994
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] carbamimidothioate
CID 60722168
[2-(4-iodo-2-methylanilino)-2-oxoethyl] carbamimidothioate
CID 60641795
[2-(3,5-difluoroanilino)-2-oxoethyl] carbamimidothioate
CID 65211621
[2-(4-bromoanilino)-2-oxoethyl] carbamimidothioate
CID 60642033
2-[4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]acetic acid
CID 64928750
2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442912
2-amino-2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)butanamide
CID 21154901
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 103576790

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate?
The IUPAC name of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate (CID 65211655) is [2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate.
What is the SMILES notation for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate?
The canonical SMILES for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate is [H]/N=C(\N)SCC(=O)Nc1nnc(C)o1.
What is the InChIKey of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate?
The InChIKey is IUAJMIYOSYGVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2S/c1-3-10-11-6(13-3)9-4(12)2-14-5(7)8/h2H2,1H3,(H3,7,8)(H,9,11,12).
What are the key properties of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate?
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate has a molecular weight of 215.24 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl] carbamimidothioate is sourced from PubChem (CID 65211655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).