(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

C26H27NO5S — CID 42781070

IUPAC(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCSC2c2ccc(OC)c(OCc3ccccc3)c2)c(OC)c1
InChIInChI=1S/C26H27NO5S/c1-29-20-10-11-21(23(16-20)31-3)25(28)27-13-14-33-26(27)19-9-12-22(30-2)24(15-19)32-17-18-7-5-4-6-8-18/h4-12,15-16,26H,13-14,17H2,1-3H3
InChIKeyXHEJINSMXRWPSU-UHFFFAOYSA-N
MW465.57 g/mol
LogP5.18
Rot. Bonds8

About (2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 42781070) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID42781070
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC Name(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCSC2c2ccc(OC)c(OCc3ccccc3)c2)c(OC)c1
InChIInChI=1S/C26H27NO5S/c1-29-20-10-11-21(23(16-20)31-3)25(28)27-13-14-33-26(27)19-9-12-22(30-2)24(15-19)32-17-18-7-5-4-6-8-18/h4-12,15-16,26H,13-14,17H2,1-3H3
InChIKeyXHEJINSMXRWPSU-UHFFFAOYSA-N
XLogP5.18
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 93115004
N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546
3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4191905
N-(3-ethylphenyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3433728
(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482577
(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4568755
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077565
2-ethyl-1-[2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 3309576
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 122345649
2-[(2R)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 36687936
2-(3-methoxy-4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4536844

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 42781070) is (2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is COc1ccc(C(=O)N2CCSC2c2ccc(OC)c(OCc3ccccc3)c2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is XHEJINSMXRWPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5S/c1-29-20-10-11-21(23(16-20)31-3)25(28)27-13-14-33-26(27)19-9-12-22(30-2)24(15-19)32-17-18-7-5-4-6-8-18/h4-12,15-16,26H,13-14,17H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 465.57 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 42781070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).