1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone

C11H16N4OS — CID 97092985

IUPAC1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](Nc2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H16N4OS/c1-7(16)15-5-4-9(6-15)12-11-13-10(14-17-11)8-2-3-8/h8-9H,2-6H2,1H3,(H,12,13,14)/t9-/m0/s1
InChIKeyVIWZJBHZQPTIRZ-VIFPVBQESA-N
MW252.34 g/mol
LogP1.45
Rot. Bonds3

About 1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone

1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone (PubChem CID 97092985) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
PubChem CID97092985
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](Nc2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H16N4OS/c1-7(16)15-5-4-9(6-15)12-11-13-10(14-17-11)8-2-3-8/h8-9H,2-6H2,1H3,(H,12,13,14)/t9-/m0/s1
InChIKeyVIWZJBHZQPTIRZ-VIFPVBQESA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone (CID 97092985) is 1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](Nc2nc(C3CC3)ns2)C1.
What is the InChIKey of 1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone?
The InChIKey is VIWZJBHZQPTIRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7(16)15-5-4-9(6-15)12-11-13-10(14-17-11)8-2-3-8/h8-9H,2-6H2,1H3,(H,12,13,14)/t9-/m0/s1.
What are the key properties of 1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone has a molecular weight of 252.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 97092985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).