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

C10H16N4OS — CID 71918740

IUPAC1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCCc1nsc(NC2CCN(C(C)=O)C2)n1
InChIInChI=1S/C10H16N4OS/c1-3-9-12-10(16-13-9)11-8-4-5-14(6-8)7(2)15/h8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyAHAMSEGDDNFMTR-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.13
Rot. Bonds3

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

1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone (PubChem CID 71918740) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
PubChem CID71918740
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCCc1nsc(NC2CCN(C(C)=O)C2)n1
InChIInChI=1S/C10H16N4OS/c1-3-9-12-10(16-13-9)11-8-4-5-14(6-8)7(2)15/h8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyAHAMSEGDDNFMTR-UHFFFAOYSA-N
XLogP1.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone (CID 71918740) is 1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone is CCc1nsc(NC2CCN(C(C)=O)C2)n1.
What is the InChIKey of 1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone?
The InChIKey is AHAMSEGDDNFMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-3-9-12-10(16-13-9)11-8-4-5-14(6-8)7(2)15/h8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone?
1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone has a molecular weight of 240.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 71918740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).