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

C18H24N2O3S — CID 111477987

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C18H24N2O3S/c1-4-13(2)18(3,22)11-19-17(21)14-5-7-16(8-6-14)23-9-15-10-24-12-20-15/h5-8,10,12-13,22H,4,9,11H2,1-3H3,(H,19,21)
InChIKeyZLROMFXFALMYIF-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.25
Rot. Bonds8

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

N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 111477987) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID111477987
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C18H24N2O3S/c1-4-13(2)18(3,22)11-19-17(21)14-5-7-16(8-6-14)23-9-15-10-24-12-20-15/h5-8,10,12-13,22H,4,9,11H2,1-3H3,(H,19,21)
InChIKeyZLROMFXFALMYIF-UHFFFAOYSA-N
XLogP3.25
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111477995
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 110000901
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111463682
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134022298
N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86847757
N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86835530
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967193
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
N-[1-(4-sulfamoylphenyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 45281533
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
CID 43504474

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 111477987) is N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is CCC(C)C(C)(O)CNC(=O)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is ZLROMFXFALMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-13(2)18(3,22)11-19-17(21)14-5-7-16(8-6-14)23-9-15-10-24-12-20-15/h5-8,10,12-13,22H,4,9,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 348.47 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 111477987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).