N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide

C9H16N4OS2 — CID 77062476

IUPACN'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide
SMILESCc1nnc(SCCC(C)(C)C(N)=NO)s1
InChIInChI=1S/C9H16N4OS2/c1-6-11-12-8(16-6)15-5-4-9(2,3)7(10)13-14/h14H,4-5H2,1-3H3,(H2,10,13)
InChIKeyHSJNXQHKBTWAJL-UHFFFAOYSA-N
MW260.39 g/mol
LogP2.10
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide (PubChem CID 77062476) has the molecular formula C9H16N4OS2 and a molecular weight of 260.39 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide
PubChem CID77062476
Molecular FormulaC9H16N4OS2
Molecular Weight260.39 g/mol
Exact Mass260.08
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide
SMILESCc1nnc(SCCC(C)(C)C(N)=NO)s1
InChIInChI=1S/C9H16N4OS2/c1-6-11-12-8(16-6)15-5-4-9(2,3)7(10)13-14/h14H,4-5H2,1-3H3,(H2,10,13)
InChIKeyHSJNXQHKBTWAJL-UHFFFAOYSA-N
XLogP2.10
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 52.10
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'}

Analyze N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide (CID 77062476) is N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide is Cc1nnc(SCCC(C)(C)C(N)=NO)s1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide?
The InChIKey is HSJNXQHKBTWAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS2/c1-6-11-12-8(16-6)15-5-4-9(2,3)7(10)13-14/h14H,4-5H2,1-3H3,(H2,10,13).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide has a molecular weight of 260.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide is sourced from PubChem (CID 77062476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).