2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide

C18H23N3O5S — CID 166634212

IUPAC2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCCCCC(=O)NO)s2)c(OC)c1
InChIInChI=1S/C18H23N3O5S/c1-25-12-7-8-13(14(10-12)26-2)18-20-11-15(27-18)17(23)19-9-5-3-4-6-16(22)21-24/h7-8,10-11,24H,3-6,9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyTWQBOHAJCMVISD-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.62
Rot. Bonds10

About 2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide

2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 166634212) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide
PubChem CID166634212
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCCCCC(=O)NO)s2)c(OC)c1
InChIInChI=1S/C18H23N3O5S/c1-25-12-7-8-13(14(10-12)26-2)18-20-11-15(27-18)17(23)19-9-5-3-4-6-16(22)21-24/h7-8,10-11,24H,3-6,9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyTWQBOHAJCMVISD-UHFFFAOYSA-N
XLogP2.62
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.62
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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Related Compounds

HDAC6 inhibitor XP5
CID 162679245
(E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166625770
(E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166626112
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166626290
(E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166628499
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166629132
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166629491
2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide
CID 166630119
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166630419
(E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
CID 166633396
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166633824
2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166635271

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide (CID 166634212) is 2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2ncc(C(=O)NCCCCCC(=O)NO)s2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide?
The InChIKey is TWQBOHAJCMVISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-25-12-7-8-13(14(10-12)26-2)18-20-11-15(27-18)17(23)19-9-5-3-4-6-16(22)21-24/h7-8,10-11,24H,3-6,9H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.62, 10 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-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166634212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).