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

C22H25N3O3S — CID 108771163

IUPAC4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2csc(-c3ccncc3)n2)cc1OCC
InChIInChI=1S/C22H25N3O3S/c1-3-5-12-28-19-7-6-17(13-20(19)27-4-2)21(26)24-14-18-15-29-22(25-18)16-8-10-23-11-9-16/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,24,26)
InChIKeyFUSXSICTAUQWER-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.71
Rot. Bonds10

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

4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 108771163) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID108771163
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2csc(-c3ccncc3)n2)cc1OCC
InChIInChI=1S/C22H25N3O3S/c1-3-5-12-28-19-7-6-17(13-20(19)27-4-2)21(26)24-14-18-15-29-22(25-18)16-8-10-23-11-9-16/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,24,26)
InChIKeyFUSXSICTAUQWER-UHFFFAOYSA-N
XLogP4.71
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-ethoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108771002
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
2-[[(4-butoxy-3-ethoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245284
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
[4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl] acetate
CID 108749134
3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108749130
3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518505
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613074
4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557994
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]-4-pyrrol-1-ylbenzamide
CID 108749141

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 108771163) is 4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide is CCCCOc1ccc(C(=O)NCc2csc(-c3ccncc3)n2)cc1OCC.
What is the InChIKey of 4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is FUSXSICTAUQWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-5-12-28-19-7-6-17(13-20(19)27-4-2)21(26)24-14-18-15-29-22(25-18)16-8-10-23-11-9-16/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,24,26).
What are the key properties of 4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide?
4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 411.53 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 108771163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).