3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

C21H22N2O3S — CID 7287490

IUPAC3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C21H22N2O3S/c1-14-5-4-6-15(9-14)21-23-17(13-27-21)7-8-22-20(24)16-10-18(25-2)12-19(11-16)26-3/h4-6,9-13H,7-8H2,1-3H3,(H,22,24)
InChIKeyDBKFLIIXEOGVJX-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.11
Rot. Bonds7

About 3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7287490) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7287490
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C21H22N2O3S/c1-14-5-4-6-15(9-14)21-23-17(13-27-21)7-8-22-20(24)16-10-18(25-2)12-19(11-16)26-3/h4-6,9-13H,7-8H2,1-3H3,(H,22,24)
InChIKeyDBKFLIIXEOGVJX-UHFFFAOYSA-N
XLogP4.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-Dimethoxyphenyl)(2-phenyl-4-thiazolyl)methanone
CID 25258606
6-(2,6-Dimethoxyphenyl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
CID 69082516
7-(2,6-Dimethoxyphenyl)-1-(3-(2-methylthiazol-4-yl)benzyl)azepan-2-one
CID 69082689
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2121321
N-[(2S)-1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2468931
N-[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2486995
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2,4-dimethoxybenzamide
CID 7216579
2-methoxy-N-(2-{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}ethyl)benzamide
CID 7287525
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-3-methoxybenzamide
CID 7518350
N-(2-(2-(3-fluorophenyl)-4-methylthiazol-5-yl)ethyl)-3,4,5-trimethoxybenzamide
CID 16028706
3,4,5-triethoxy-N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 16031901
N-(4-(2-((4-fluorobenzyl)amino)-2-oxoethyl)thiazol-2-yl)-3,5-dimethoxybenzamide
CID 18568057

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7287490) is 3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is DBKFLIIXEOGVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-5-4-6-15(9-14)21-23-17(13-27-21)7-8-22-20(24)16-10-18(25-2)12-19(11-16)26-3/h4-6,9-13H,7-8H2,1-3H3,(H,22,24).
What are the key properties of 3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 382.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7287490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).