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

C10H14ClN3OS — CID 3297067

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1c1c(C)nn(C)c1Cl
InChIInChI=1S/C10H14ClN3OS/c1-4-14-7(15)5-16-10(14)8-6(2)12-13(3)9(8)11/h10H,4-5H2,1-3H3
InChIKeyODUGVYVJYUIZKO-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.98
Rot. Bonds2

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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one (PubChem CID 3297067) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one
PubChem CID3297067
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1c1c(C)nn(C)c1Cl
InChIInChI=1S/C10H14ClN3OS/c1-4-14-7(15)5-16-10(14)8-6(2)12-13(3)9(8)11/h10H,4-5H2,1-3H3
InChIKeyODUGVYVJYUIZKO-UHFFFAOYSA-N
XLogP1.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one (CID 3297067) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one is CCN1C(=O)CSC1c1c(C)nn(C)c1Cl.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one?
The InChIKey is ODUGVYVJYUIZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-4-14-7(15)5-16-10(14)8-6(2)12-13(3)9(8)11/h10H,4-5H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one has a molecular weight of 259.76 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3297067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).