2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one

C18H21NO4S2 — CID 3836410

IUPAC2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(CN2C(=O)CSC2c2ccc(C)s2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4S2/c1-11-5-6-15(25-11)18-19(16(20)10-24-18)9-12-7-13(21-2)17(23-4)14(8-12)22-3/h5-8,18H,9-10H2,1-4H3
InChIKeyGMDCWMUBSTZQNV-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.86
Rot. Bonds6

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

2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3836410) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3836410
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC Name2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(CN2C(=O)CSC2c2ccc(C)s2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4S2/c1-11-5-6-15(25-11)18-19(16(20)10-24-18)9-12-7-13(21-2)17(23-4)14(8-12)22-3/h5-8,18H,9-10H2,1-4H3
InChIKeyGMDCWMUBSTZQNV-UHFFFAOYSA-N
XLogP3.86
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 23762836
2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3856405
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
2-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4990605
3-[(5-methylfuran-2-yl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3350221
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
2-methylsulfanyl-6-[4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-2-yl]pyridine-3-carbonitrile
CID 3517392
3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3371955
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5191424
2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3792645
3-(2-bromoethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 19075728

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 3836410) is 2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1cc(CN2C(=O)CSC2c2ccc(C)s2)cc(OC)c1OC.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is GMDCWMUBSTZQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-11-5-6-15(25-11)18-19(16(20)10-24-18)9-12-7-13(21-2)17(23-4)14(8-12)22-3/h5-8,18H,9-10H2,1-4H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 379.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3836410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).