N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C21H26N2O4S — CID 122330645

IUPACN-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C21H26N2O4S/c1-5-14-6-8-15(9-7-14)22-21(24)23-10-11-28-20(23)16-12-18(26-3)19(27-4)13-17(16)25-2/h6-9,12-13,20H,5,10-11H2,1-4H3,(H,22,24)
InChIKeyKEENKRHLAQMSOX-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.55
Rot. Bonds6

About N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122330645) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122330645
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C21H26N2O4S/c1-5-14-6-8-15(9-7-14)22-21(24)23-10-11-28-20(23)16-12-18(26-3)19(27-4)13-17(16)25-2/h6-9,12-13,20H,5,10-11H2,1-4H3,(H,22,24)
InChIKeyKEENKRHLAQMSOX-UHFFFAOYSA-N
XLogP4.55
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330609
N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330644
N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330698
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330557
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
(2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 816261
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-ethylphenyl)methanone
CID 3343398
2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330561
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7225995
(2R)-N-(4-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028914
(2S)-N-(4-ethylphenyl)-2-(furan-2-yl)-1,3-thiazolidine-3-carboxamide
CID 7238198
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 42781183

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 122330645) is N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is CCc1ccc(NC(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is KEENKRHLAQMSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-5-14-6-8-15(9-7-14)22-21(24)23-10-11-28-20(23)16-12-18(26-3)19(27-4)13-17(16)25-2/h6-9,12-13,20H,5,10-11H2,1-4H3,(H,22,24).
What are the key properties of N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122330645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).