4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide

C20H28N3O2S+ — CID 9293109

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide
SMILESCCC[NH+]1CCC(NC(=O)c2ccc(OCc3csc(C)n3)cc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-3-10-23-11-8-17(9-12-23)22-20(24)16-4-6-19(7-5-16)25-13-18-14-26-15(2)21-18/h4-7,14,17H,3,8-13H2,1-2H3,(H,22,24)/p+1
InChIKeyRMIXPIXSOKDOMM-UHFFFAOYSA-O
MW374.53 g/mol
LogP2.22
Rot. Bonds7

About 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide (PubChem CID 9293109) has the molecular formula C20H28N3O2S+ and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide
PubChem CID9293109
Molecular FormulaC20H28N3O2S+
Molecular Weight374.53 g/mol
Exact Mass374.19
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide
SMILESCCC[NH+]1CCC(NC(=O)c2ccc(OCc3csc(C)n3)cc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-3-10-23-11-8-17(9-12-23)22-20(24)16-4-6-19(7-5-16)25-13-18-14-26-15(2)21-18/h4-7,14,17H,3,8-13H2,1-2H3,(H,22,24)/p+1
InChIKeyRMIXPIXSOKDOMM-UHFFFAOYSA-O
XLogP2.22
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9273087
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119477541
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46671765
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522
N-(1-acetylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46657248
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide (CID 9293109) is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide is CCC[NH+]1CCC(NC(=O)c2ccc(OCc3csc(C)n3)cc2)CC1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide?
The InChIKey is RMIXPIXSOKDOMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O2S/c1-3-10-23-11-8-17(9-12-23)22-20(24)16-4-6-19(7-5-16)25-13-18-14-26-15(2)21-18/h4-7,14,17H,3,8-13H2,1-2H3,(H,22,24)/p+1.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide?
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide has a molecular weight of 374.53 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide is sourced from PubChem (CID 9293109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).