4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

C16H16N2S — CID 16662263

IUPAC4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(C3CCCC3)nc2)cs1
InChIInChI=1S/C16H16N2S/c1-12-18-15(11-19-12)8-6-13-7-9-16(17-10-13)14-4-2-3-5-14/h7,9-11,14H,2-5H2,1H3
InChIKeyHTMLQNUYALZWPL-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.90
Rot. Bonds1

About 4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (PubChem CID 16662263) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
PubChem CID16662263
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(C3CCCC3)nc2)cs1
InChIInChI=1S/C16H16N2S/c1-12-18-15(11-19-12)8-6-13-7-9-16(17-10-13)14-4-2-3-5-14/h7,9-11,14H,2-5H2,1H3
InChIKeyHTMLQNUYALZWPL-UHFFFAOYSA-N
XLogP3.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (CID 16662263) is 4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is Cc1nc(C#Cc2ccc(C3CCCC3)nc2)cs1.
What is the InChIKey of 4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is HTMLQNUYALZWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-12-18-15(11-19-12)8-6-13-7-9-16(17-10-13)14-4-2-3-5-14/h7,9-11,14H,2-5H2,1H3.
What are the key properties of 4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 268.38 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-cyclopentyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 16662263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).