5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine

C13H15N3O3S — CID 104522912

IUPAC5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCCS2(=O)=O)c1-c1ccccn1
InChIInChI=1S/C13H15N3O3S/c14-13-11(9-5-1-3-7-15-9)12(19-16-13)10-6-2-4-8-20(10,17)18/h1,3,5,7,10H,2,4,6,8H2,(H2,14,16)
InChIKeyZYIRHCLQGQBQBU-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.96
Rot. Bonds2

About 5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine

5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine (PubChem CID 104522912) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine
PubChem CID104522912
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCCS2(=O)=O)c1-c1ccccn1
InChIInChI=1S/C13H15N3O3S/c14-13-11(9-5-1-3-7-15-9)12(19-16-13)10-6-2-4-8-20(10,17)18/h1,3,5,7,10H,2,4,6,8H2,(H2,14,16)
InChIKeyZYIRHCLQGQBQBU-UHFFFAOYSA-N
XLogP1.96
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine
CID 104522878
5-cyclopropyl-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521158
5-(oxolan-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 114196136
4-(3-chlorophenyl)-3-(1,1-dioxothian-2-yl)-1,2-oxazol-5-amine
CID 104520006
2-(1,1-dioxothian-2-yl)phenol
CID 105483986
5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521268
3-(3-amino-4-pyridin-2-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
CID 136812969
2-[3-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiane 1,1-dioxide
CID 154769548
5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 114877558
5-(3,5-dichlorophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521472
4-(3,5-difluorophenyl)-5-pyridin-2-yl-1,2-oxazol-3-amine
CID 66201880
5-cyclohexyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198368

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine (CID 104522912) is 5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine is Nc1noc(C2CCCCS2(=O)=O)c1-c1ccccn1.
What is the InChIKey of 5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The InChIKey is ZYIRHCLQGQBQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-13-11(9-5-1-3-7-15-9)12(19-16-13)10-6-2-4-8-20(10,17)18/h1,3,5,7,10H,2,4,6,8H2,(H2,14,16).
What are the key properties of 5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine has a molecular weight of 293.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothian-2-yl)-4-pyridin-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 104522912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).