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

C15H18N2O3S — CID 110000901

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C15H18N2O3S/c1-15(2,9-18)17-14(19)11-3-5-13(6-4-11)20-7-12-8-21-10-16-12/h3-6,8,10,18H,7,9H2,1-2H3,(H,17,19)
InChIKeyZEALQAHSZCKEGP-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.22
Rot. Bonds6

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

N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 110000901) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID110000901
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C15H18N2O3S/c1-15(2,9-18)17-14(19)11-3-5-13(6-4-11)20-7-12-8-21-10-16-12/h3-6,8,10,18H,7,9H2,1-2H3,(H,17,19)
InChIKeyZEALQAHSZCKEGP-UHFFFAOYSA-N
XLogP2.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide
CID 110000771
N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 110878329
N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 111477987
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26738355
4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18277019
N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86834806
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 8926941
N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134022298
N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26737793
N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86835530

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 110000901) is N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is CC(C)(CO)NC(=O)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is ZEALQAHSZCKEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(2,9-18)17-14(19)11-3-5-13(6-4-11)20-7-12-8-21-10-16-12/h3-6,8,10,18H,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 306.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 110000901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).