2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one

C14H16N2OS — CID 4679955

IUPAC2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)CSC1c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2OS/c1-2-7-16-13(17)9-18-14(16)11-8-15-12-6-4-3-5-10(11)12/h3-6,8,14-15H,2,7,9H2,1H3
InChIKeyLQAODTQMJXUWQJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.15
Rot. Bonds3

About 2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one

2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one (PubChem CID 4679955) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
PubChem CID4679955
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)CSC1c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2OS/c1-2-7-16-13(17)9-18-14(16)11-8-15-12-6-4-3-5-10(11)12/h3-6,8,14-15H,2,7,9H2,1H3
InChIKeyLQAODTQMJXUWQJ-UHFFFAOYSA-N
XLogP3.15
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one (CID 4679955) is 2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one is CCCN1C(=O)CSC1c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one?
The InChIKey is LQAODTQMJXUWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-7-16-13(17)9-18-14(16)11-8-15-12-6-4-3-5-10(11)12/h3-6,8,14-15H,2,7,9H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one?
2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one has a molecular weight of 260.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4679955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).