(5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

C23H25N3O4S — CID 122330725

IUPAC(5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cc(OC)c(C2SCCN2C(=O)c2cnn(-c3ccccc3)c2C)cc1OC
InChIInChI=1S/C23H25N3O4S/c1-15-18(14-24-26(15)16-8-6-5-7-9-16)22(27)25-10-11-31-23(25)17-12-20(29-3)21(30-4)13-19(17)28-2/h5-9,12-14,23H,10-11H2,1-4H3
InChIKeyLUSCTHKCOXCQGF-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.09
Rot. Bonds6

About (5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

(5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 122330725) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is (5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID122330725
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name(5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cc(OC)c(C2SCCN2C(=O)c2cnn(-c3ccccc3)c2C)cc1OC
InChIInChI=1S/C23H25N3O4S/c1-15-18(14-24-26(15)16-8-6-5-7-9-16)22(27)25-10-11-31-23(25)17-12-20(29-3)21(30-4)13-19(17)28-2/h5-9,12-14,23H,10-11H2,1-4H3
InChIKeyLUSCTHKCOXCQGF-UHFFFAOYSA-N
XLogP4.09
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122330091
(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330579
isoquinolin-1-yl-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330792
(5-methyl-1,2-oxazol-3-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330764
3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330600
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 38446939
(4-bromophenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330950
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
CID 122330259
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
(4-ethylphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330609
(6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330849
2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330561

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 122330725) is (5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is COc1cc(OC)c(C2SCCN2C(=O)c2cnn(-c3ccccc3)c2C)cc1OC.
What is the InChIKey of (5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is LUSCTHKCOXCQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-15-18(14-24-26(15)16-8-6-5-7-9-16)22(27)25-10-11-31-23(25)17-12-20(29-3)21(30-4)13-19(17)28-2/h5-9,12-14,23H,10-11H2,1-4H3.
What are the key properties of (5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
(5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 439.54 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-phenylpyrazol-4-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 122330725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).