N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide

C16H20N2O3S — CID 111698025

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCN(CC(C)(C)O)C(=O)c1ccccc1OCc1cscn1
InChIInChI=1S/C16H20N2O3S/c1-16(2,20)10-18(3)15(19)13-6-4-5-7-14(13)21-8-12-9-22-11-17-12/h4-7,9,11,20H,8,10H2,1-3H3
InChIKeySTVXXNYKKPJXFK-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.57
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 111698025) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID111698025
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCN(CC(C)(C)O)C(=O)c1ccccc1OCc1cscn1
InChIInChI=1S/C16H20N2O3S/c1-16(2,20)10-18(3)15(19)13-6-4-5-7-14(13)21-8-12-9-22-11-17-12/h4-7,9,11,20H,8,10H2,1-3H3
InChIKeySTVXXNYKKPJXFK-UHFFFAOYSA-N
XLogP2.57
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(pyridin-4-ylmethyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86845687
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
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 124734628
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86853124
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78872865
N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006475
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
2-(1,3-thiazol-4-ylmethoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 78841200

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 111698025) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide is CN(CC(C)(C)O)C(=O)c1ccccc1OCc1cscn1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is STVXXNYKKPJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-16(2,20)10-18(3)15(19)13-6-4-5-7-14(13)21-8-12-9-22-11-17-12/h4-7,9,11,20H,8,10H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 320.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 111698025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).