3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

C20H29NO4S — CID 122330728

IUPAC3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCOc1cc(OC)c(C2SCCN2C(=O)CCC2CCCC2)cc1OC
InChIInChI=1S/C20H29NO4S/c1-23-16-13-18(25-3)17(24-2)12-15(16)20-21(10-11-26-20)19(22)9-8-14-6-4-5-7-14/h12-14,20H,4-11H2,1-3H3
InChIKeyGIPAJZRXVIRAPM-UHFFFAOYSA-N
MW379.52 g/mol
LogP4.26
Rot. Bonds7

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

3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 122330728) has the molecular formula C20H29NO4S and a molecular weight of 379.52 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID122330728
Molecular FormulaC20H29NO4S
Molecular Weight379.52 g/mol
Exact Mass379.18
IUPAC Name3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCOc1cc(OC)c(C2SCCN2C(=O)CCC2CCCC2)cc1OC
InChIInChI=1S/C20H29NO4S/c1-23-16-13-18(25-3)17(24-2)12-15(16)20-21(10-11-26-20)19(22)9-8-14-6-4-5-7-14/h12-14,20H,4-11H2,1-3H3
InChIKeyGIPAJZRXVIRAPM-UHFFFAOYSA-N
XLogP4.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4780882
3-[3-(Dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one hydrochloride
CID 2861396
3-Benzyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 396391
N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 4794987
2-(3,4,5-Trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2839697
Thiazolidine, 3-(3,4,5-trimethoxybenzoyl)-
CID 3039669
5-Methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2840150
2-(2,4-Dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 2881164
3-[2-(Piperidin-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3475685
5-Methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3116437
3-Benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2840042
3-(2-Phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2840926

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 122330728) is 3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is COc1cc(OC)c(C2SCCN2C(=O)CCC2CCCC2)cc1OC.
What is the InChIKey of 3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is GIPAJZRXVIRAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4S/c1-23-16-13-18(25-3)17(24-2)12-15(16)20-21(10-11-26-20)19(22)9-8-14-6-4-5-7-14/h12-14,20H,4-11H2,1-3H3.
What are the key properties of 3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 379.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 122330728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).