N-hexyl-N'-(1,3-thiazol-2-yl)oxamide

C11H17N3O2S — CID 3820180

IUPACN-hexyl-N'-(1,3-thiazol-2-yl)oxamide
SMILESCCCCCCNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C11H17N3O2S/c1-2-3-4-5-6-12-9(15)10(16)14-11-13-7-8-17-11/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14,16)
InChIKeyZRCOYOWNOFBLBW-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.78
Rot. Bonds6

About N-hexyl-N'-(1,3-thiazol-2-yl)oxamide

N-hexyl-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 3820180) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-hexyl-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-hexyl-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID3820180
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-hexyl-N'-(1,3-thiazol-2-yl)oxamide
SMILESCCCCCCNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C11H17N3O2S/c1-2-3-4-5-6-12-9(15)10(16)14-11-13-7-8-17-11/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14,16)
InChIKeyZRCOYOWNOFBLBW-UHFFFAOYSA-N
XLogP1.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-hexyl-N'-(1,3-thiazol-2-yl)oxamide (CID 3820180) is N-hexyl-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-hexyl-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-hexyl-N'-(1,3-thiazol-2-yl)oxamide is CCCCCCNC(=O)C(=O)Nc1nccs1.
What is the InChIKey of N-hexyl-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is ZRCOYOWNOFBLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-3-4-5-6-12-9(15)10(16)14-11-13-7-8-17-11/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14,16).
What are the key properties of N-hexyl-N'-(1,3-thiazol-2-yl)oxamide?
N-hexyl-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 255.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 3820180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).