2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide

C13H18N2O2S — CID 54923004

IUPAC2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C13H18N2O2S/c1-3-10(4-2)12(17)15-13-14-9-11(18-13)7-5-6-8-16/h9-10,16H,3-4,6,8H2,1-2H3,(H,14,15,17)
InChIKeyDKUFZMXSAWSZFK-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.25
Rot. Bonds5

About 2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide

2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 54923004) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide
PubChem CID54923004
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C13H18N2O2S/c1-3-10(4-2)12(17)15-13-14-9-11(18-13)7-5-6-8-16/h9-10,16H,3-4,6,8H2,1-2H3,(H,14,15,17)
InChIKeyDKUFZMXSAWSZFK-UHFFFAOYSA-N
XLogP2.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.25
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-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide (CID 54923004) is 2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide is CCC(CC)C(=O)Nc1ncc(C#CCCO)s1.
What is the InChIKey of 2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is DKUFZMXSAWSZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-10(4-2)12(17)15-13-14-9-11(18-13)7-5-6-8-16/h9-10,16H,3-4,6,8H2,1-2H3,(H,14,15,17).
What are the key properties of 2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide?
2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 266.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 54923004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).