N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide

C18H23N3O4S — CID 166629491

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c1
InChIInChI=1S/C18H23N3O4S/c1-25-14-8-6-7-13(11-14)18-20-12-15(26-18)17(23)19-10-5-3-2-4-9-16(22)21-24/h6-8,11-12,24H,2-5,9-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyBXYYOHHPUJWRFS-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.00
Rot. Bonds10

About N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 166629491) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID166629491
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c1
InChIInChI=1S/C18H23N3O4S/c1-25-14-8-6-7-13(11-14)18-20-12-15(26-18)17(23)19-10-5-3-2-4-9-16(22)21-24/h6-8,11-12,24H,2-5,9-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyBXYYOHHPUJWRFS-UHFFFAOYSA-N
XLogP3.00
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide (CID 166629491) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide is COc1cccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)s2)c1.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BXYYOHHPUJWRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-25-14-8-6-7-13(11-14)18-20-12-15(26-18)17(23)19-10-5-3-2-4-9-16(22)21-24/h6-8,11-12,24H,2-5,9-10H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.00, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166629491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).