2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide

C14H20N2O2S — CID 54923859

IUPAC2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C14H20N2O2S/c1-3-5-7-11(4-2)13(18)16-14-15-10-12(19-14)8-6-9-17/h10-11,17H,3-5,7,9H2,1-2H3,(H,15,16,18)
InChIKeyIFWIZDMOECJSHN-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.64
Rot. Bonds6

About 2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide

2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide (PubChem CID 54923859) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide
PubChem CID54923859
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C14H20N2O2S/c1-3-5-7-11(4-2)13(18)16-14-15-10-12(19-14)8-6-9-17/h10-11,17H,3-5,7,9H2,1-2H3,(H,15,16,18)
InChIKeyIFWIZDMOECJSHN-UHFFFAOYSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide?
The IUPAC name of 2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide (CID 54923859) is 2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide?
The canonical SMILES for 2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide is CCCCC(CC)C(=O)Nc1ncc(C#CCO)s1.
What is the InChIKey of 2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide?
The InChIKey is IFWIZDMOECJSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-5-7-11(4-2)13(18)16-14-15-10-12(19-14)8-6-9-17/h10-11,17H,3-5,7,9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide?
2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide has a molecular weight of 280.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide is sourced from PubChem (CID 54923859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).