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

C17H23N3O3S — CID 118779229

IUPAC2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N(C)CCc2scnc2C)c(OCCN)c1
InChIInChI=1S/C17H23N3O3S/c1-12-16(24-11-19-12)6-8-20(2)17(21)14-5-4-13(22-3)10-15(14)23-9-7-18/h4-5,10-11H,6-9,18H2,1-3H3
InChIKeyLCTVDIDLXWNGNU-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.11
Rot. Bonds8

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

2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 118779229) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID118779229
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N(C)CCc2scnc2C)c(OCCN)c1
InChIInChI=1S/C17H23N3O3S/c1-12-16(24-11-19-12)6-8-20(2)17(21)14-5-4-13(22-3)10-15(14)23-9-7-18/h4-5,10-11H,6-9,18H2,1-3H3
InChIKeyLCTVDIDLXWNGNU-UHFFFAOYSA-N
XLogP2.11
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 18098220
(3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97132314
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
5-amino-2-methoxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843759
N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
CID 62070630
1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone
CID 63651606
4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid
CID 55035243
N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 70747283
2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 56902749
2,4-dimethoxy-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide
CID 45225585
N-(2,4-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679711
2-tert-butyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 118779229) is 2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is COc1ccc(C(=O)N(C)CCc2scnc2C)c(OCCN)c1.
What is the InChIKey of 2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is LCTVDIDLXWNGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-16(24-11-19-12)6-8-20(2)17(21)14-5-4-13(22-3)10-15(14)23-9-7-18/h4-5,10-11H,6-9,18H2,1-3H3.
What are the key properties of 2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 349.46 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 118779229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).