N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide

C18H17N3O2S — CID 86845687

IUPACN-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1ccccc1OCc1cscn1
InChIInChI=1S/C18H17N3O2S/c1-21(10-14-6-8-19-9-7-14)18(22)16-4-2-3-5-17(16)23-11-15-12-24-13-20-15/h2-9,12-13H,10-11H2,1H3
InChIKeyXFULKVCFTMRBEQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.39
Rot. Bonds6

About N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 86845687) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID86845687
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1ccccc1OCc1cscn1
InChIInChI=1S/C18H17N3O2S/c1-21(10-14-6-8-19-9-7-14)18(22)16-4-2-3-5-17(16)23-11-15-12-24-13-20-15/h2-9,12-13H,10-11H2,1H3
InChIKeyXFULKVCFTMRBEQ-UHFFFAOYSA-N
XLogP3.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 111698025
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78817892
N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86911822
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 51101796
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86853124
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55582714
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78872865
N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 34677040
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 86845687) is N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide is CN(Cc1ccncc1)C(=O)c1ccccc1OCc1cscn1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is XFULKVCFTMRBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-21(10-14-6-8-19-9-7-14)18(22)16-4-2-3-5-17(16)23-11-15-12-24-13-20-15/h2-9,12-13H,10-11H2,1H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 86845687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).