3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

C15H18N2O3S — CID 86835966

IUPAC3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCOCCOc1cccc(C(=O)NCc2cnc(C)s2)c1
InChIInChI=1S/C15H18N2O3S/c1-11-16-9-14(21-11)10-17-15(18)12-4-3-5-13(8-12)20-7-6-19-2/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,18)
InChIKeyLEBBASMXHQQMHQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.41
Rot. Bonds7

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

3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 86835966) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID86835966
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCOCCOc1cccc(C(=O)NCc2cnc(C)s2)c1
InChIInChI=1S/C15H18N2O3S/c1-11-16-9-14(21-11)10-17-15(18)12-4-3-5-13(8-12)20-7-6-19-2/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,18)
InChIKeyLEBBASMXHQQMHQ-UHFFFAOYSA-N
XLogP2.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110764
3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethoxy]benzoic acid
CID 103243274
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86825678
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 47069980
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019403
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 86835966) is 3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is COCCOc1cccc(C(=O)NCc2cnc(C)s2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is LEBBASMXHQQMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-16-9-14(21-11)10-17-15(18)12-4-3-5-13(8-12)20-7-6-19-2/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 306.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 86835966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).