N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide

C22H22N2O5S — CID 42866897

IUPACN-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC=CCOc1ccc(-c2nc(C(=O)Nc3ccc(OC)cc3OC)cs2)cc1OC
InChIInChI=1S/C22H22N2O5S/c1-5-10-29-18-9-6-14(11-20(18)28-4)22-24-17(13-30-22)21(25)23-16-8-7-15(26-2)12-19(16)27-3/h5-9,11-13H,1,10H2,2-4H3,(H,23,25)
InChIKeyMHAUQTQFWUEPAS-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.65
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide

N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42866897) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID42866897
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC=CCOc1ccc(-c2nc(C(=O)Nc3ccc(OC)cc3OC)cs2)cc1OC
InChIInChI=1S/C22H22N2O5S/c1-5-10-29-18-9-6-14(11-20(18)28-4)22-24-17(13-30-22)21(25)23-16-8-7-15(26-2)12-19(16)27-3/h5-9,11-13H,1,10H2,2-4H3,(H,23,25)
InChIKeyMHAUQTQFWUEPAS-UHFFFAOYSA-N
XLogP4.65
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866927
N-(4-fluoro-2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 32610380
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
1-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42865910
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066268
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46165101
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537
2-(3,4-dimethoxyphenyl)-N-(3-methylpyridazin-4-yl)-1,3-thiazole-4-carboxamide
CID 166210953
2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166273173
N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066159

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide (CID 42866897) is N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide is C=CCOc1ccc(-c2nc(C(=O)Nc3ccc(OC)cc3OC)cs2)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MHAUQTQFWUEPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-5-10-29-18-9-6-14(11-20(18)28-4)22-24-17(13-30-22)21(25)23-16-8-7-15(26-2)12-19(16)27-3/h5-9,11-13H,1,10H2,2-4H3,(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42866897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).