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

C12H14N2O2S — CID 60801700

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ncc(C#CCO)s1)C1CCCC1
InChIInChI=1S/C12H14N2O2S/c15-7-3-6-10-8-13-12(17-10)14-11(16)9-4-1-2-5-9/h8-9,15H,1-2,4-5,7H2,(H,13,14,16)
InChIKeyROIUHTOUJXPQLA-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.62
Rot. Bonds2

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

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 60801700) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID60801700
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ncc(C#CCO)s1)C1CCCC1
InChIInChI=1S/C12H14N2O2S/c15-7-3-6-10-8-13-12(17-10)14-11(16)9-4-1-2-5-9/h8-9,15H,1-2,4-5,7H2,(H,13,14,16)
InChIKeyROIUHTOUJXPQLA-UHFFFAOYSA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.62
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 N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 60801700) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide is O=C(Nc1ncc(C#CCO)s1)C1CCCC1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is ROIUHTOUJXPQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-7-3-6-10-8-13-12(17-10)14-11(16)9-4-1-2-5-9/h8-9,15H,1-2,4-5,7H2,(H,13,14,16).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 60801700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).