N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide

C8H7N5O2S — CID 136678514

IUPACN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Sc2ncco2)n1
InChIInChI=1S/C8H7N5O2S/c9-6(13-14)5-1-2-10-7(12-5)16-8-11-3-4-15-8/h1-4,14H,(H2,9,13)
InChIKeySYLFJSDSYDKGFB-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.71
Rot. Bonds3

About N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide

N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide (PubChem CID 136678514) has the molecular formula C8H7N5O2S and a molecular weight of 237.24 g/mol. Its IUPAC name is N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
PubChem CID136678514
Molecular FormulaC8H7N5O2S
Molecular Weight237.24 g/mol
Exact Mass237.03
IUPAC NameN'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Sc2ncco2)n1
InChIInChI=1S/C8H7N5O2S/c9-6(13-14)5-1-2-10-7(12-5)16-8-11-3-4-15-8/h1-4,14H,(H2,9,13)
InChIKeySYLFJSDSYDKGFB-UHFFFAOYSA-N
XLogP0.71
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxypyrimidine-4-carboximidamide
CID 136986849
2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 106928161
N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide
CID 136678466
N'-hydroxy-2-(4-methoxyphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678350
N'-hydroxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboximidamide
CID 136678356
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide
CID 136678433
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyrazine-2-carboximidamide
CID 136914221
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136914225
N'-hydroxy-2-(4-methylsulfonylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678459
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide
CID 136914226
N'-hydroxy-2-(3-hydroxy-2-methylpropyl)sulfanylpyrimidine-4-carboximidamide
CID 136678480
N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922582

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide (CID 136678514) is N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide is N/C(=N/O)c1ccnc(Sc2ncco2)n1.
What is the InChIKey of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide?
The InChIKey is SYLFJSDSYDKGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S/c9-6(13-14)5-1-2-10-7(12-5)16-8-11-3-4-15-8/h1-4,14H,(H2,9,13).
What are the key properties of N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide?
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide has a molecular weight of 237.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136678514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).