N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine

C11H13N5OS — CID 83192862

IUPACN-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
SMILESCNC1CSCC1c1nc(-c2ccncn2)no1
InChIInChI=1S/C11H13N5OS/c1-12-9-5-18-4-7(9)11-15-10(16-17-11)8-2-3-13-6-14-8/h2-3,6-7,9,12H,4-5H2,1H3
InChIKeyNFNANAFVWGVBNW-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.94
Rot. Bonds3

About N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine

N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine (PubChem CID 83192862) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
PubChem CID83192862
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC NameN-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
SMILESCNC1CSCC1c1nc(-c2ccncn2)no1
InChIInChI=1S/C11H13N5OS/c1-12-9-5-18-4-7(9)11-15-10(16-17-11)8-2-3-13-6-14-8/h2-3,6-7,9,12H,4-5H2,1H3
InChIKeyNFNANAFVWGVBNW-UHFFFAOYSA-N
XLogP0.94
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The IUPAC name of N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine (CID 83192862) is N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine.
What is the SMILES notation for N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The canonical SMILES for N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine is CNC1CSCC1c1nc(-c2ccncn2)no1.
What is the InChIKey of N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The InChIKey is NFNANAFVWGVBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-12-9-5-18-4-7(9)11-15-10(16-17-11)8-2-3-13-6-14-8/h2-3,6-7,9,12H,4-5H2,1H3.
What are the key properties of N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine has a molecular weight of 263.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine is sourced from PubChem (CID 83192862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).