1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one

C17H30N2O2S — CID 42748075

IUPAC1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1C(CC(C)C)SCC1C(=O)N1CCCC1
InChIInChI=1S/C17H30N2O2S/c1-4-5-8-15(20)19-14(12-22-16(19)11-13(2)3)17(21)18-9-6-7-10-18/h13-14,16H,4-12H2,1-3H3
InChIKeyGFHZUBBBGXBHSK-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.12
Rot. Bonds6

About 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one

1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one (PubChem CID 42748075) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
PubChem CID42748075
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Name1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1C(CC(C)C)SCC1C(=O)N1CCCC1
InChIInChI=1S/C17H30N2O2S/c1-4-5-8-15(20)19-14(12-22-16(19)11-13(2)3)17(21)18-9-6-7-10-18/h13-14,16H,4-12H2,1-3H3
InChIKeyGFHZUBBBGXBHSK-UHFFFAOYSA-N
XLogP3.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The IUPAC name of 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one (CID 42748075) is 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one.
What is the SMILES notation for 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The canonical SMILES for 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one is CCCCC(=O)N1C(CC(C)C)SCC1C(=O)N1CCCC1.
What is the InChIKey of 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The InChIKey is GFHZUBBBGXBHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-4-5-8-15(20)19-14(12-22-16(19)11-13(2)3)17(21)18-9-6-7-10-18/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one?
1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one has a molecular weight of 326.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one is sourced from PubChem (CID 42748075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).