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

C15H18N2O3S — CID 110739313

IUPAC3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2ncc(C)s2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-10-9-17-14(21-10)6-7-16-15(18)11-4-5-12(19-2)13(8-11)20-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyKXUIIOIIDMTDFX-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.44
Rot. Bonds6

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

3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110739313) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110739313
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2ncc(C)s2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-10-9-17-14(21-10)6-7-16-15(18)11-4-5-12(19-2)13(8-11)20-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyKXUIIOIIDMTDFX-UHFFFAOYSA-N
XLogP2.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296
3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 91831542
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
3-(dimethylamino)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110746469
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3,4-dimethoxybenzamide
CID 110401232
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 92659573
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111817260
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
2-(3-methoxyphenyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110739366
3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720006

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 110739313) is 3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is COc1ccc(C(=O)NCCc2ncc(C)s2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is KXUIIOIIDMTDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-9-17-14(21-10)6-7-16-15(18)11-4-5-12(19-2)13(8-11)20-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 306.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110739313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).