4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide

C11H12N4O2S — CID 55091034

IUPAC4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C11H12N4O2S/c12-10-9(14-17-15-10)11(16)13-6-7-18-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16)
InChIKeyDWNVQIOMOMBPHL-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.17
Rot. Bonds5

About 4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55091034) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID55091034
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C11H12N4O2S/c12-10-9(14-17-15-10)11(16)13-6-7-18-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16)
InChIKeyDWNVQIOMOMBPHL-UHFFFAOYSA-N
XLogP1.17
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-benzamidoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 4316930
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
3-amino-N-(2-phenylsulfanylethyl)-1H-pyrazole-5-carboxamide
CID 64525684
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid
CID 104898540
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
CID 3910053
4-amino-N-[(1R)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606094
N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
CID 27887675
2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide
CID 2174445
5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide
CID 78858986
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide (CID 55091034) is 4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCSc1ccccc1.
What is the InChIKey of 4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DWNVQIOMOMBPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-10-9(14-17-15-10)11(16)13-6-7-18-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55091034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).