N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

C10H12N8O3S — CID 3587682

IUPACN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1nonc1NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C10H12N8O3S/c1-4(19)13-8-9(18-21-17-8)16-7(20)3-22-10-14-5(11)2-6(12)15-10/h2H,3H2,1H3,(H,13,17,19)(H,16,18,20)(H4,11,12,14,15)
InChIKeyDYVCLDZJNKLIGJ-UHFFFAOYSA-N
MW324.33 g/mol
LogP-0.29
Rot. Bonds5

About N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 3587682) has the molecular formula C10H12N8O3S and a molecular weight of 324.33 g/mol. Its IUPAC name is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID3587682
Molecular FormulaC10H12N8O3S
Molecular Weight324.33 g/mol
Exact Mass324.08
IUPAC NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1nonc1NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C10H12N8O3S/c1-4(19)13-8-9(18-21-17-8)16-7(20)3-22-10-14-5(11)2-6(12)15-10/h2H,3H2,1H3,(H,13,17,19)(H,16,18,20)(H4,11,12,14,15)
InChIKeyDYVCLDZJNKLIGJ-UHFFFAOYSA-N
XLogP-0.29
TPSA174.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide
CID 592788
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 593667
2-[1-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]pyrimidine-4,6-diamine
CID 42889919
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 145976076
Acetamide, N-(4-acetylaminofurazan-3-yl)-2-(pyrimidin-2-ylsulfanyl)-
CID 712223
N-(4-formamido-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 23878026
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 23986878
2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyrimidine-4,6-diamine
CID 25345068
2-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyrimidine-4,6-diamine
CID 25345070
2-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 30469697
2-[(3-Propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 30469742
2-[(3-Butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 30469745

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 3587682) is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is CC(=O)Nc1nonc1NC(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is DYVCLDZJNKLIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8O3S/c1-4(19)13-8-9(18-21-17-8)16-7(20)3-22-10-14-5(11)2-6(12)15-10/h2H,3H2,1H3,(H,13,17,19)(H,16,18,20)(H4,11,12,14,15).
What are the key properties of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 324.33 g/mol, XLogP of -0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3587682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).