2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one

C20H18ClN3O2S — CID 11842533

IUPAC2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCc1c(N2C(=O)CSC2c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H18ClN3O2S/c1-13-18(19(26)24(22(13)2)16-9-4-3-5-10-16)23-17(25)12-27-20(23)14-7-6-8-15(21)11-14/h3-11,20H,12H2,1-2H3
InChIKeyHICQZTPNPRUKSF-UHFFFAOYSA-N
MW399.90 g/mol
LogP3.92
Rot. Bonds3

About 2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one

2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one (PubChem CID 11842533) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
PubChem CID11842533
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCc1c(N2C(=O)CSC2c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H18ClN3O2S/c1-13-18(19(26)24(22(13)2)16-9-4-3-5-10-16)23-17(25)12-27-20(23)14-7-6-8-15(21)11-14/h3-11,20H,12H2,1-2H3
InChIKeyHICQZTPNPRUKSF-UHFFFAOYSA-N
XLogP3.92
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one (CID 11842533) is 2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one is Cc1c(N2C(=O)CSC2c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is HICQZTPNPRUKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-13-18(19(26)24(22(13)2)16-9-4-3-5-10-16)23-17(25)12-27-20(23)14-7-6-8-15(21)11-14/h3-11,20H,12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 399.90 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 11842533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).