N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine

C11H12N4O3S — CID 110456253

IUPACN-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
SMILESO=S1(=O)CCC(Nc2nnc(-c3ccccn3)o2)C1
InChIInChI=1S/C11H12N4O3S/c16-19(17)6-4-8(7-19)13-11-15-14-10(18-11)9-3-1-2-5-12-9/h1-3,5,8H,4,6-7H2,(H,13,15)
InChIKeyBOTGFCGQKVHFSK-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.73
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine

N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 110456253) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID110456253
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
SMILESO=S1(=O)CCC(Nc2nnc(-c3ccccn3)o2)C1
InChIInChI=1S/C11H12N4O3S/c16-19(17)6-4-8(7-19)13-11-15-14-10(18-11)9-3-1-2-5-12-9/h1-3,5,8H,4,6-7H2,(H,13,15)
InChIKeyBOTGFCGQKVHFSK-UHFFFAOYSA-N
XLogP0.73
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine 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

3-[5-[(1,1-dioxothiolan-3-yl)amino]-1,3,4-oxadiazol-2-yl]phenol
CID 110456257
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
CID 136551623
5-(2-chloroethyl)-N-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106959070
5-(aminomethyl)-N-(1,1-dioxothian-3-yl)-1,3,4-oxadiazol-2-amine
CID 106961474
3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
N-(1,1-dioxothian-3-yl)-5-pyridin-2-yl-1H-pyrazol-4-amine
CID 154770886
4-N-(1,1-dioxothiolan-3-yl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893300
N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62137410
5-[(cyclopropylamino)methyl]-N-(1,1-dioxothian-3-yl)-1,3,4-oxadiazol-2-amine
CID 106961478
N-(1,1-dioxothian-3-yl)-1,3-benzoxazol-2-amine
CID 63923752
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042936
6-N-benzyl-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112858744

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine (CID 110456253) is N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine is O=S1(=O)CCC(Nc2nnc(-c3ccccn3)o2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is BOTGFCGQKVHFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c16-19(17)6-4-8(7-19)13-11-15-14-10(18-11)9-3-1-2-5-12-9/h1-3,5,8H,4,6-7H2,(H,13,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine?
N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 280.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).