3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

C19H21NO3S2 — CID 5184666

IUPAC3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(CN2C(=O)CSC2c2ccc(SC)cc2)cc(OC)c1
InChIInChI=1S/C19H21NO3S2/c1-22-15-8-13(9-16(10-15)23-2)11-20-18(21)12-25-19(20)14-4-6-17(24-3)7-5-14/h4-10,19H,11-12H2,1-3H3
InChIKeyFNUQFMNOCYMXOP-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.20
Rot. Bonds6

About 3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 5184666) has the molecular formula C19H21NO3S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID5184666
Molecular FormulaC19H21NO3S2
Molecular Weight375.52 g/mol
Exact Mass375.10
IUPAC Name3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(CN2C(=O)CSC2c2ccc(SC)cc2)cc(OC)c1
InChIInChI=1S/C19H21NO3S2/c1-22-15-8-13(9-16(10-15)23-2)11-20-18(21)12-25-19(20)14-4-6-17(24-3)7-5-14/h4-10,19H,11-12H2,1-3H3
InChIKeyFNUQFMNOCYMXOP-UHFFFAOYSA-N
XLogP4.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethoxyphenyl)methyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3364686
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3396492
3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3874642
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 23734588
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
2-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4990605
2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3477965
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 5184666) is 3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is COc1cc(CN2C(=O)CSC2c2ccc(SC)cc2)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is FNUQFMNOCYMXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S2/c1-22-15-8-13(9-16(10-15)23-2)11-20-18(21)12-25-19(20)14-4-6-17(24-3)7-5-14/h4-10,19H,11-12H2,1-3H3.
What are the key properties of 3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 375.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5184666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).