N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide

C7H12N4O2S — CID 76937871

IUPACN'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide
SMILESCc1nnc(SCC(C)C(N)=NO)o1
InChIInChI=1S/C7H12N4O2S/c1-4(6(8)11-12)3-14-7-10-9-5(2)13-7/h4,12H,3H2,1-2H3,(H2,8,11)
InChIKeySLTUFVAXPRWSKB-UHFFFAOYSA-N
MW216.27 g/mol
LogP0.85
Rot. Bonds4

About N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide

N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide (PubChem CID 76937871) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide
PubChem CID76937871
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC NameN'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide
SMILESCc1nnc(SCC(C)C(N)=NO)o1
InChIInChI=1S/C7H12N4O2S/c1-4(6(8)11-12)3-14-7-10-9-5(2)13-7/h4,12H,3H2,1-2H3,(H2,8,11)
InChIKeySLTUFVAXPRWSKB-UHFFFAOYSA-N
XLogP0.85
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide (CID 76937871) is N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide is Cc1nnc(SCC(C)C(N)=NO)o1.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide?
The InChIKey is SLTUFVAXPRWSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-4(6(8)11-12)3-14-7-10-9-5(2)13-7/h4,12H,3H2,1-2H3,(H2,8,11).
What are the key properties of N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide?
N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide has a molecular weight of 216.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide is sourced from PubChem (CID 76937871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).