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

C15H18N2O2S — CID 108737233

IUPAC3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCCOc1cccc(C(=O)NC(C)c2csc(C)n2)c1
InChIInChI=1S/C15H18N2O2S/c1-4-19-13-7-5-6-12(8-13)15(18)16-10(2)14-9-20-11(3)17-14/h5-10H,4H2,1-3H3,(H,16,18)
InChIKeyMSTLQVXWXPHXLV-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.34
Rot. Bonds5

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

3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 108737233) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID108737233
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCCOc1cccc(C(=O)NC(C)c2csc(C)n2)c1
InChIInChI=1S/C15H18N2O2S/c1-4-19-13-7-5-6-12(8-13)15(18)16-10(2)14-9-20-11(3)17-14/h5-10H,4H2,1-3H3,(H,16,18)
InChIKeyMSTLQVXWXPHXLV-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 90650191
3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760036
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
N-[1-(3,4-difluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643860
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643901
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760051
4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 54865366
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 108737233) is 3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is CCOc1cccc(C(=O)NC(C)c2csc(C)n2)c1.
What is the InChIKey of 3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is MSTLQVXWXPHXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-19-13-7-5-6-12(8-13)15(18)16-10(2)14-9-20-11(3)17-14/h5-10H,4H2,1-3H3,(H,16,18).
What are the key properties of 3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 290.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 108737233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).