2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide

C13H16N2O2S — CID 60801702

IUPAC2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1ncc(C#CCO)s1
InChIInChI=1S/C13H16N2O2S/c16-7-3-6-11-9-14-13(18-11)15-12(17)8-10-4-1-2-5-10/h9-10,16H,1-2,4-5,7-8H2,(H,14,15,17)
InChIKeyCDIRLZNNUUZLFU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.01
Rot. Bonds3

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

2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 60801702) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide
PubChem CID60801702
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1ncc(C#CCO)s1
InChIInChI=1S/C13H16N2O2S/c16-7-3-6-11-9-14-13(18-11)15-12(17)8-10-4-1-2-5-10/h9-10,16H,1-2,4-5,7-8H2,(H,14,15,17)
InChIKeyCDIRLZNNUUZLFU-UHFFFAOYSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.01
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-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide (CID 60801702) is 2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide is O=C(CC1CCCC1)Nc1ncc(C#CCO)s1.
What is the InChIKey of 2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CDIRLZNNUUZLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-7-3-6-11-9-14-13(18-11)15-12(17)8-10-4-1-2-5-10/h9-10,16H,1-2,4-5,7-8H2,(H,14,15,17).
What are the key properties of 2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide?
2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 60801702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).