(2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide

C11H17N3O3S — CID 7260906

IUPAC(2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide
SMILESCCCC[C@@H](CC)C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H17N3O3S/c1-3-5-6-8(4-2)10(15)13-11-12-7-9(18-11)14(16)17/h7-8H,3-6H2,1-2H3,(H,12,13,15)/t8-/m1/s1
InChIKeyHSPKPPHNQJNEDV-MRVPVSSYSA-N
MW271.34 g/mol
LogP3.21
Rot. Bonds7

About (2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide

(2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide (PubChem CID 7260906) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide
PubChem CID7260906
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name(2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide
SMILESCCCC[C@@H](CC)C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H17N3O3S/c1-3-5-6-8(4-2)10(15)13-11-12-7-9(18-11)14(16)17/h7-8H,3-6H2,1-2H3,(H,12,13,15)/t8-/m1/s1
InChIKeyHSPKPPHNQJNEDV-MRVPVSSYSA-N
XLogP3.21
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 (2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide?
The IUPAC name of (2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide (CID 7260906) is (2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for (2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for (2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide is CCCC[C@@H](CC)C(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of (2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide?
The InChIKey is HSPKPPHNQJNEDV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-5-6-8(4-2)10(15)13-11-12-7-9(18-11)14(16)17/h7-8H,3-6H2,1-2H3,(H,12,13,15)/t8-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide?
(2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide has a molecular weight of 271.34 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 7260906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).