N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide

C13H15N3O3S2 — CID 147234087

IUPACN-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide
SMILESO=C(CCCCCC(=O)c1csc(-c2cscn2)n1)NO
InChIInChI=1S/C13H15N3O3S2/c17-11(4-2-1-3-5-12(18)16-19)9-7-21-13(15-9)10-6-20-8-14-10/h6-8,19H,1-5H2,(H,16,18)
InChIKeyCJLZLBKIIHCFCK-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.91
Rot. Bonds8

About N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide

N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide (PubChem CID 147234087) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide
PubChem CID147234087
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide
SMILESO=C(CCCCCC(=O)c1csc(-c2cscn2)n1)NO
InChIInChI=1S/C13H15N3O3S2/c17-11(4-2-1-3-5-12(18)16-19)9-7-21-13(15-9)10-6-20-8-14-10/h6-8,19H,1-5H2,(H,16,18)
InChIKeyCJLZLBKIIHCFCK-UHFFFAOYSA-N
XLogP2.91
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
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

N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468927
N-hydroxy-5-oxo-5-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]pentanamide
CID 90048471
N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide
CID 159195962
tert-butyl N-[[4-[4-[8-(hydroxyamino)-8-oxooctanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]carbamate
CID 159195964
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide
CID 159771048
1-[2-(1,3-Thiazol-4-yl)-1,3-thiazol-4-yl]octane-1,7-dione
CID 159538292
1-[2-(2-Methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]octane-1,7-dione
CID 159538293
1-[2-[2-(2-Aminoethyl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]hexan-1-one
CID 167531734
1-[2-[2-(2-Aminoethyl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]undecan-1-one
CID 167702267

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide?
The IUPAC name of N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide (CID 147234087) is N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide is O=C(CCCCCC(=O)c1csc(-c2cscn2)n1)NO.
What is the InChIKey of N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide?
The InChIKey is CJLZLBKIIHCFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c17-11(4-2-1-3-5-12(18)16-19)9-7-21-13(15-9)10-6-20-8-14-10/h6-8,19H,1-5H2,(H,16,18).
What are the key properties of N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide?
N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide has a molecular weight of 325.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide is sourced from PubChem (CID 147234087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).