3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one

C14H13NO2S2 — CID 3729446

IUPAC3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2cccs2)cc1
InChIInChI=1S/C14H13NO2S2/c1-17-11-6-4-10(5-7-11)15-13(16)9-19-14(15)12-3-2-8-18-12/h2-8,14H,9H2,1H3
InChIKeyQBICGKPVLXXOFT-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.54
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one

3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 3729446) has the molecular formula C14H13NO2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID3729446
Molecular FormulaC14H13NO2S2
Molecular Weight291.40 g/mol
Exact Mass291.04
IUPAC Name3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2cccs2)cc1
InChIInChI=1S/C14H13NO2S2/c1-17-11-6-4-10(5-7-11)15-13(16)9-19-14(15)12-3-2-8-18-12/h2-8,14H,9H2,1H3
InChIKeyQBICGKPVLXXOFT-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 3729446) is 3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2cccs2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is QBICGKPVLXXOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S2/c1-17-11-6-4-10(5-7-11)15-13(16)9-19-14(15)12-3-2-8-18-12/h2-8,14H,9H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 291.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3729446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).