N-(5-methyl-1,3-thiazol-2-yl)hexanamide

C10H16N2OS — CID 42733020

IUPACN-(5-methyl-1,3-thiazol-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C10H16N2OS/c1-3-4-5-6-9(13)12-10-11-7-8(2)14-10/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyXNOSRGIAHYTGDH-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.97
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)hexanamide

N-(5-methyl-1,3-thiazol-2-yl)hexanamide (PubChem CID 42733020) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)hexanamide
PubChem CID42733020
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C10H16N2OS/c1-3-4-5-6-9(13)12-10-11-7-8(2)14-10/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyXNOSRGIAHYTGDH-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)hexanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)hexanamide (CID 42733020) is N-(5-methyl-1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)hexanamide is CCCCCC(=O)Nc1ncc(C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)hexanamide?
The InChIKey is XNOSRGIAHYTGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-4-5-6-9(13)12-10-11-7-8(2)14-10/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)hexanamide?
N-(5-methyl-1,3-thiazol-2-yl)hexanamide has a molecular weight of 212.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 42733020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).