3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C19H29NO5S — CID 3724582

IUPAC3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2CCCC(C)(C)CO)cc(OC)c1OC
InChIInChI=1S/C19H29NO5S/c1-19(2,12-21)7-6-8-20-16(22)11-26-18(20)13-9-14(23-3)17(25-5)15(10-13)24-4/h9-10,18,21H,6-8,11-12H2,1-5H3
InChIKeyXEYPRUPCMQZEKH-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.09
Rot. Bonds9

About 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3724582) has the molecular formula C19H29NO5S and a molecular weight of 383.51 g/mol. Its IUPAC name is 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3724582
Molecular FormulaC19H29NO5S
Molecular Weight383.51 g/mol
Exact Mass383.18
IUPAC Name3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2CCCC(C)(C)CO)cc(OC)c1OC
InChIInChI=1S/C19H29NO5S/c1-19(2,12-21)7-6-8-20-16(22)11-26-18(20)13-9-14(23-3)17(25-5)15(10-13)24-4/h9-10,18,21H,6-8,11-12H2,1-5H3
InChIKeyXEYPRUPCMQZEKH-UHFFFAOYSA-N
XLogP3.09
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

3-(2-bromoethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 19075728
3-(3-propoxypropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3852808
3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23794155
ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate
CID 3867156
2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
CID 3358569
2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one
CID 3284160
3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3771055
3-butyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3417661
3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
CID 3832794
2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 3594995
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
2-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4990605

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3724582) is 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2SCC(=O)N2CCCC(C)(C)CO)cc(OC)c1OC.
What is the InChIKey of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is XEYPRUPCMQZEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5S/c1-19(2,12-21)7-6-8-20-16(22)11-26-18(20)13-9-14(23-3)17(25-5)15(10-13)24-4/h9-10,18,21H,6-8,11-12H2,1-5H3.
What are the key properties of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 383.51 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3724582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).