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

C15H18N2O3S — CID 108760036

IUPAC3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2csc(C)n2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-9(12-8-21-10(2)17-12)16-15(18)11-5-6-13(19-3)14(7-11)20-4/h5-9H,1-4H3,(H,16,18)
InChIKeyZIGRJIZEHZAFKA-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.96
Rot. Bonds5

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

3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 108760036) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID108760036
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2csc(C)n2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-9(12-8-21-10(2)17-12)16-15(18)11-5-6-13(19-3)14(7-11)20-4/h5-9H,1-4H3,(H,16,18)
InChIKeyZIGRJIZEHZAFKA-UHFFFAOYSA-N
XLogP2.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760051
3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737233
2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 90650191
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 108760135
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
[2-methoxy-4-[(E)-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-oxoprop-1-enyl]phenyl] acetate
CID 108760130
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
4-(dimethylamino)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitrobenzamide
CID 108737167
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46655596
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 19462670

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 108760036) is 3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is COc1ccc(C(=O)NC(C)c2csc(C)n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is ZIGRJIZEHZAFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9(12-8-21-10(2)17-12)16-15(18)11-5-6-13(19-3)14(7-11)20-4/h5-9H,1-4H3,(H,16,18).
What are the key properties of 3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 306.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 108760036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).