N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide

C10H10N4O2S — CID 3910053

IUPACN-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
SMILESNc1nonc1NC(=O)CSc1ccccc1
InChIInChI=1S/C10H10N4O2S/c11-9-10(14-16-13-9)12-8(15)6-17-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13)(H,12,14,15)
InChIKeyCKXDATNNTJBOAR-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.38
Rot. Bonds4

About N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide (PubChem CID 3910053) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
PubChem CID3910053
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
SMILESNc1nonc1NC(=O)CSc1ccccc1
InChIInChI=1S/C10H10N4O2S/c11-9-10(14-16-13-9)12-8(15)6-17-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13)(H,12,14,15)
InChIKeyCKXDATNNTJBOAR-UHFFFAOYSA-N
XLogP1.38
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
CID 1108413
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 627918
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 593667
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 5294688
2-phenylsulfanylacetohydrazide
CID 7037418
N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide
CID 112555487
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
4-amino-N-(2-phenylsulfanylethyl)-1,2,5-oxadiazole-3-carboxamide
CID 55091034
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylsulfanylacetamide
CID 26712232
N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide (CID 3910053) is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide is Nc1nonc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide?
The InChIKey is CKXDATNNTJBOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-9-10(14-16-13-9)12-8(15)6-17-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13)(H,12,14,15).
What are the key properties of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide?
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide has a molecular weight of 250.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 3910053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).