3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one

C15H24ClN3O2S — CID 3871732

IUPAC3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCCCCOCCCN1C(=O)CSC1c1c(C)nn(C)c1Cl
InChIInChI=1S/C15H24ClN3O2S/c1-4-5-8-21-9-6-7-19-12(20)10-22-15(19)13-11(2)17-18(3)14(13)16/h15H,4-10H2,1-3H3
InChIKeyGMPQNJDKTSIQDG-UHFFFAOYSA-N
MW345.90 g/mol
LogP3.16
Rot. Bonds8

About 3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one

3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one (PubChem CID 3871732) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is 3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one
PubChem CID3871732
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCCCCOCCCN1C(=O)CSC1c1c(C)nn(C)c1Cl
InChIInChI=1S/C15H24ClN3O2S/c1-4-5-8-21-9-6-7-19-12(20)10-22-15(19)13-11(2)17-18(3)14(13)16/h15H,4-10H2,1-3H3
InChIKeyGMPQNJDKTSIQDG-UHFFFAOYSA-N
XLogP3.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one (CID 3871732) is 3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one is CCCCOCCCN1C(=O)CSC1c1c(C)nn(C)c1Cl.
What is the InChIKey of 3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is GMPQNJDKTSIQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2S/c1-4-5-8-21-9-6-7-19-12(20)10-22-15(19)13-11(2)17-18(3)14(13)16/h15H,4-10H2,1-3H3.
What are the key properties of 3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one?
3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 345.90 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxypropyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3871732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).