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

C21H23N3O3S — CID 166627092

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2ccc3ccccc3c2)s1)NO
InChIInChI=1S/C21H23N3O3S/c25-19(24-27)9-3-1-2-6-12-22-20(26)18-14-23-21(28-18)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13-14,27H,1-3,6,9,12H2,(H,22,26)(H,24,25)
InChIKeyKOJFQRZRMORWAD-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.15
Rot. Bonds9

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

N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 166627092) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID166627092
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(-c2ccc3ccccc3c2)s1)NO
InChIInChI=1S/C21H23N3O3S/c25-19(24-27)9-3-1-2-6-12-22-20(26)18-14-23-21(28-18)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13-14,27H,1-3,6,9,12H2,(H,22,26)(H,24,25)
InChIKeyKOJFQRZRMORWAD-UHFFFAOYSA-N
XLogP4.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-naphthalen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide (CID 166627092) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(-c2ccc3ccccc3c2)s1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KOJFQRZRMORWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-19(24-27)9-3-1-2-6-12-22-20(26)18-14-23-21(28-18)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13-14,27H,1-3,6,9,12H2,(H,22,26)(H,24,25).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-naphthalen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166627092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).