1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one

C17H25N5O2S — CID 138006592

IUPAC1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)c1nsc(NC23CCC2CN(C(=O)CN2CCCC2=O)C3)n1
InChIInChI=1S/C17H25N5O2S/c1-11(2)15-18-16(25-20-15)19-17-6-5-12(17)8-22(10-17)14(24)9-21-7-3-4-13(21)23/h11-12H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyCJSHEPYRNKATOP-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.69
Rot. Bonds5

About 1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one

1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 138006592) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one
PubChem CID138006592
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)c1nsc(NC23CCC2CN(C(=O)CN2CCCC2=O)C3)n1
InChIInChI=1S/C17H25N5O2S/c1-11(2)15-18-16(25-20-15)19-17-6-5-12(17)8-22(10-17)14(24)9-21-7-3-4-13(21)23/h11-12H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyCJSHEPYRNKATOP-UHFFFAOYSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one (CID 138006592) is 1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one is CC(C)c1nsc(NC23CCC2CN(C(=O)CN2CCCC2=O)C3)n1.
What is the InChIKey of 1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one?
The InChIKey is CJSHEPYRNKATOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-11(2)15-18-16(25-20-15)19-17-6-5-12(17)8-22(10-17)14(24)9-21-7-3-4-13(21)23/h11-12H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one?
1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 363.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 138006592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).