1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

C13H23N3O2S — CID 120809895

IUPAC1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1CSCC1C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C13H23N3O2S/c1-3-11(17)16-9-19-6-10(16)12(18)15-5-4-13(2,7-14)8-15/h10H,3-9,14H2,1-2H3
InChIKeyFLFMPSWXBCULMC-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.50
Rot. Bonds3

About 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 120809895) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID120809895
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1CSCC1C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C13H23N3O2S/c1-3-11(17)16-9-19-6-10(16)12(18)15-5-4-13(2,7-14)8-15/h10H,3-9,14H2,1-2H3
InChIKeyFLFMPSWXBCULMC-UHFFFAOYSA-N
XLogP0.50
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one (CID 120809895) is 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one is CCC(=O)N1CSCC1C(=O)N1CCC(C)(CN)C1.
What is the InChIKey of 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is FLFMPSWXBCULMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-11(17)16-9-19-6-10(16)12(18)15-5-4-13(2,7-14)8-15/h10H,3-9,14H2,1-2H3.
What are the key properties of 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 285.41 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 120809895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).