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

C16H17NO2S2 — CID 23762836

IUPAC3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(CN2C(=O)CSC2c2ccc(C)s2)c1
InChIInChI=1S/C16H17NO2S2/c1-11-6-7-14(21-11)16-17(15(18)10-20-16)9-12-4-3-5-13(8-12)19-2/h3-8,16H,9-10H2,1-2H3
InChIKeyBXCKTRTZRYCWJI-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.84
Rot. Bonds4

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

3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one (PubChem CID 23762836) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
PubChem CID23762836
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC Name3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(CN2C(=O)CSC2c2ccc(C)s2)c1
InChIInChI=1S/C16H17NO2S2/c1-11-6-7-14(21-11)16-17(15(18)10-20-16)9-12-4-3-5-13(8-12)19-2/h3-8,16H,9-10H2,1-2H3
InChIKeyBXCKTRTZRYCWJI-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3836410
(2S)-3-ethyl-2-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99966123
2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one
CID 3393859
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
3-[(3-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)-1,3-thiazinan-4-one
CID 3742714
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4995225
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 133244546
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
(5S)-5-ethenyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 57242076
2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3873596
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one (CID 23762836) is 3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one is COc1cccc(CN2C(=O)CSC2c2ccc(C)s2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is BXCKTRTZRYCWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S2/c1-11-6-7-14(21-11)16-17(15(18)10-20-16)9-12-4-3-5-13(8-12)19-2/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 319.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23762836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).