4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide

C21H22N2O4S — CID 143650945

IUPAC4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide
SMILESCCc1nc(-c2cc(OC)cc(OC)c2)sc1COc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-4-18-19(12-27-15-7-5-13(6-8-15)20(22)24)28-21(23-18)14-9-16(25-2)11-17(10-14)26-3/h5-11H,4,12H2,1-3H3,(H2,22,24)
InChIKeyBNCIIXPWRBYYAQ-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.07
Rot. Bonds8

About 4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide

4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide (PubChem CID 143650945) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide
PubChem CID143650945
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide
SMILESCCc1nc(-c2cc(OC)cc(OC)c2)sc1COc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-4-18-19(12-27-15-7-5-13(6-8-15)20(22)24)28-21(23-18)14-9-16(25-2)11-17(10-14)26-3/h5-11H,4,12H2,1-3H3,(H2,22,24)
InChIKeyBNCIIXPWRBYYAQ-UHFFFAOYSA-N
XLogP4.07
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103399663
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
(2R)-3-[4-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-methoxypropanoic acid
CID 58626656
4-ethyl-2-[4-[2-(3-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984956
2-[4-ethyl-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430074
4-(4-ethoxyphenyl)benzamide
CID 163572533
N-[[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430015
methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 60564920
4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20987539
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 122477008
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide?
The IUPAC name of 4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide (CID 143650945) is 4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide.
What is the SMILES notation for 4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide?
The canonical SMILES for 4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide is CCc1nc(-c2cc(OC)cc(OC)c2)sc1COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide?
The InChIKey is BNCIIXPWRBYYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-4-18-19(12-27-15-7-5-13(6-8-15)20(22)24)28-21(23-18)14-9-16(25-2)11-17(10-14)26-3/h5-11H,4,12H2,1-3H3,(H2,22,24).
What are the key properties of 4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide?
4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide has a molecular weight of 398.48 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methoxy]benzamide is sourced from PubChem (CID 143650945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).