3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one

C16H21NO4S — CID 3856690

IUPAC3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CC2CC2)c(OC)c1OC
InChIInChI=1S/C16H21NO4S/c1-19-12-7-6-11(14(20-2)15(12)21-3)16-17(8-10-4-5-10)13(18)9-22-16/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyURXDLNNVUWSVBC-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.70
Rot. Bonds6

About 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one

3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3856690) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3856690
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Name3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CC2CC2)c(OC)c1OC
InChIInChI=1S/C16H21NO4S/c1-19-12-7-6-11(14(20-2)15(12)21-3)16-17(8-10-4-5-10)13(18)9-22-16/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyURXDLNNVUWSVBC-UHFFFAOYSA-N
XLogP2.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3856690) is 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2CC2CC2)c(OC)c1OC.
What is the InChIKey of 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is URXDLNNVUWSVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-19-12-7-6-11(14(20-2)15(12)21-3)16-17(8-10-4-5-10)13(18)9-22-16/h6-7,10,16H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 323.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3856690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).