2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

C26H22Cl2N2O5S — CID 42866927

IUPAC2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)n2)c(OC)c1
InChIInChI=1S/C26H22Cl2N2O5S/c1-32-17-6-8-20(23(12-17)33-2)29-25(31)21-14-36-26(30-21)16-5-9-22(24(11-16)34-3)35-13-15-4-7-18(27)19(28)10-15/h4-12,14H,13H2,1-3H3,(H,29,31)
InChIKeyRYHZIZLKBGOAQU-UHFFFAOYSA-N
MW545.44 g/mol
LogP6.97
Rot. Bonds9

About 2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42866927) has the molecular formula C26H22Cl2N2O5S and a molecular weight of 545.44 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID42866927
Molecular FormulaC26H22Cl2N2O5S
Molecular Weight545.44 g/mol
Exact Mass544.06
IUPAC Name2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)n2)c(OC)c1
InChIInChI=1S/C26H22Cl2N2O5S/c1-32-17-6-8-20(23(12-17)33-2)29-25(31)21-14-36-26(30-21)16-5-9-22(24(11-16)34-3)35-13-15-4-7-18(27)19(28)10-15/h4-12,14H,13H2,1-3H3,(H,29,31)
InChIKeyRYHZIZLKBGOAQU-UHFFFAOYSA-N
XLogP6.97
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.44
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866897
2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46165101
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066268
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
N-(4-fluoro-2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 32610380
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278
2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42865930
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 46066288

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 42866927) is 2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)n2)c(OC)c1.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RYHZIZLKBGOAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O5S/c1-32-17-6-8-20(23(12-17)33-2)29-25(31)21-14-36-26(30-21)16-5-9-22(24(11-16)34-3)35-13-15-4-7-18(27)19(28)10-15/h4-12,14H,13H2,1-3H3,(H,29,31).
What are the key properties of 2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 545.44 g/mol, XLogP of 6.97, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42866927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).