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

C20H20N2O3S — CID 7119218

IUPACN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3ccccc3)cs2)cc1OC
InChIInChI=1S/C20H20N2O3S/c1-24-17-9-8-15(12-18(17)25-2)20-22-16(13-26-20)10-11-21-19(23)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyHTDIMALMRUCYSO-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.80
Rot. Bonds7

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

N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7119218) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7119218
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3ccccc3)cs2)cc1OC
InChIInChI=1S/C20H20N2O3S/c1-24-17-9-8-15(12-18(17)25-2)20-22-16(13-26-20)10-11-21-19(23)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyHTDIMALMRUCYSO-UHFFFAOYSA-N
XLogP3.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7119218) is N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is COc1ccc(-c2nc(CCNC(=O)c3ccccc3)cs2)cc1OC.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is HTDIMALMRUCYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-24-17-9-8-15(12-18(17)25-2)20-22-16(13-26-20)10-11-21-19(23)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7119218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).