2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide

C16H19N3O5S — CID 166635280

IUPAC2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCCC(=O)NO)s2)c(OC)c1
InChIInChI=1S/C16H19N3O5S/c1-23-10-5-6-11(12(8-10)24-2)16-18-9-13(25-16)15(21)17-7-3-4-14(20)19-22/h5-6,8-9,22H,3-4,7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQOLFWRIYLHOXGL-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.84
Rot. Bonds8

About 2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide

2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide (PubChem CID 166635280) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide
PubChem CID166635280
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCCC(=O)NO)s2)c(OC)c1
InChIInChI=1S/C16H19N3O5S/c1-23-10-5-6-11(12(8-10)24-2)16-18-9-13(25-16)15(21)17-7-3-4-14(20)19-22/h5-6,8-9,22H,3-4,7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQOLFWRIYLHOXGL-UHFFFAOYSA-N
XLogP1.84
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide (CID 166635280) is 2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2ncc(C(=O)NCCCC(=O)NO)s2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QOLFWRIYLHOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-23-10-5-6-11(12(8-10)24-2)16-18-9-13(25-16)15(21)17-7-3-4-14(20)19-22/h5-6,8-9,22H,3-4,7H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166635280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).