2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C12H20N4OS — CID 113408668

IUPAC2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCc1nsc(NC(C)C(=O)N2CCCC2)n1
InChIInChI=1S/C12H20N4OS/c1-3-6-10-14-12(18-15-10)13-9(2)11(17)16-7-4-5-8-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyHFLHGMPHJSHEDT-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.91
Rot. Bonds5

About 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 113408668) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID113408668
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCc1nsc(NC(C)C(=O)N2CCCC2)n1
InChIInChI=1S/C12H20N4OS/c1-3-6-10-14-12(18-15-10)13-9(2)11(17)16-7-4-5-8-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyHFLHGMPHJSHEDT-UHFFFAOYSA-N
XLogP1.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 113408668) is 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCCc1nsc(NC(C)C(=O)N2CCCC2)n1.
What is the InChIKey of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HFLHGMPHJSHEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-6-10-14-12(18-15-10)13-9(2)11(17)16-7-4-5-8-16/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 268.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 113408668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).