N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide

C8H8N6OS2 — CID 136678498

IUPACN'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(Sc2ncns2)n1
InChIInChI=1S/C8H8N6OS2/c1-4-2-5(6(9)14-15)13-7(12-4)16-8-10-3-11-17-8/h2-3,15H,1H3,(H2,9,14)
InChIKeyHYXTYXSWJLYEBH-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.88
Rot. Bonds3

About N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide

N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide (PubChem CID 136678498) has the molecular formula C8H8N6OS2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide
PubChem CID136678498
Molecular FormulaC8H8N6OS2
Molecular Weight268.33 g/mol
Exact Mass268.02
IUPAC NameN'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(Sc2ncns2)n1
InChIInChI=1S/C8H8N6OS2/c1-4-2-5(6(9)14-15)13-7(12-4)16-8-10-3-11-17-8/h2-3,15H,1H3,(H2,9,14)
InChIKeyHYXTYXSWJLYEBH-UHFFFAOYSA-N
XLogP0.88
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide (CID 136678498) is N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(Sc2ncns2)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide?
The InChIKey is HYXTYXSWJLYEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS2/c1-4-2-5(6(9)14-15)13-7(12-4)16-8-10-3-11-17-8/h2-3,15H,1H3,(H2,9,14).
What are the key properties of N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide?
N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide has a molecular weight of 268.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136678498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).