N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide

C19H24N2O4S — CID 87419524

IUPACN-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide
SMILESCC(C)/C=C\c1cc(OC(C)C)cc(C(=O)Nc2ncc(COO)s2)c1
InChIInChI=1S/C19H24N2O4S/c1-12(2)5-6-14-7-15(9-16(8-14)25-13(3)4)18(22)21-19-20-10-17(26-19)11-24-23/h5-10,12-13,23H,11H2,1-4H3,(H,20,21,22)/b6-5-
InChIKeyXLRPIVOCRNEWQH-WAYWQWQTSA-N
MW376.48 g/mol
LogP4.84
Rot. Bonds8

About N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide

N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide (PubChem CID 87419524) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide
PubChem CID87419524
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide
SMILESCC(C)/C=C\c1cc(OC(C)C)cc(C(=O)Nc2ncc(COO)s2)c1
InChIInChI=1S/C19H24N2O4S/c1-12(2)5-6-14-7-15(9-16(8-14)25-13(3)4)18(22)21-19-20-10-17(26-19)11-24-23/h5-10,12-13,23H,11H2,1-4H3,(H,20,21,22)/b6-5-
InChIKeyXLRPIVOCRNEWQH-WAYWQWQTSA-N
XLogP4.84
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxybenzamide
CID 87349596
2-[1-(3-formyl-5-propan-2-yloxyphenyl)ethenylamino]-1,3-thiazole-5-carboxylic acid
CID 89269599
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
N-(5-fluoro-1,3-thiazol-2-yl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(E)-2-(2,3,5-trifluorophenyl)ethenyl]benzamide
CID 87349451
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 3685021
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
ethyl 2-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-5-propan-2-yloxybenzoyl]amino]-1,3-thiazole-5-carboxylate
CID 87419506
N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide
CID 16550274
N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4007991
2-[[3-(2-phenylmethoxyethylamino)-5-propan-2-yloxybenzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 59735907
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide
CID 88532151
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide?
The IUPAC name of N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide (CID 87419524) is N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide.
What is the SMILES notation for N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide?
The canonical SMILES for N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide is CC(C)/C=C\c1cc(OC(C)C)cc(C(=O)Nc2ncc(COO)s2)c1.
What is the InChIKey of N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide?
The InChIKey is XLRPIVOCRNEWQH-WAYWQWQTSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-12(2)5-6-14-7-15(9-16(8-14)25-13(3)4)18(22)21-19-20-10-17(26-19)11-24-23/h5-10,12-13,23H,11H2,1-4H3,(H,20,21,22)/b6-5-.
What are the key properties of N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide?
N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide has a molecular weight of 376.48 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroperoxymethyl)-1,3-thiazol-2-yl]-3-[(Z)-3-methylbut-1-enyl]-5-propan-2-yloxybenzamide is sourced from PubChem (CID 87419524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).