N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide

C14H17N3O3S2 — CID 159195962

IUPACN-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide
SMILESCc1nc(-c2nc(C(=O)CCCCCC(=O)NO)cs2)cs1
InChIInChI=1S/C14H17N3O3S2/c1-9-15-11(8-21-9)14-16-10(7-22-14)12(18)5-3-2-4-6-13(19)17-20/h7-8,20H,2-6H2,1H3,(H,17,19)
InChIKeyLKGDQZIYHUBJGT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.21
Rot. Bonds8

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

N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide (PubChem CID 159195962) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide
PubChem CID159195962
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide
SMILESCc1nc(-c2nc(C(=O)CCCCCC(=O)NO)cs2)cs1
InChIInChI=1S/C14H17N3O3S2/c1-9-15-11(8-21-9)14-16-10(7-22-14)12(18)5-3-2-4-6-13(19)17-20/h7-8,20H,2-6H2,1H3,(H,17,19)
InChIKeyLKGDQZIYHUBJGT-UHFFFAOYSA-N
XLogP3.21
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.21
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-hydroxy-5-oxo-5-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]pentanamide
CID 90048471
N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide
CID 147234087
tert-butyl N-[[4-[4-[8-(hydroxyamino)-8-oxooctanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]carbamate
CID 159195964
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-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide?
The IUPAC name of N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide (CID 159195962) is N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide.
What is the SMILES notation for N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide?
The canonical SMILES for N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide is Cc1nc(-c2nc(C(=O)CCCCCC(=O)NO)cs2)cs1.
What is the InChIKey of N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide?
The InChIKey is LKGDQZIYHUBJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-9-15-11(8-21-9)14-16-10(7-22-14)12(18)5-3-2-4-6-13(19)17-20/h7-8,20H,2-6H2,1H3,(H,17,19).
What are the key properties of N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide?
N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide has a molecular weight of 339.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide is sourced from PubChem (CID 159195962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).