2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole

C10H5ClN2S — CID 23500886

IUPAC2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole
SMILESClc1cncc(C#Cc2nccs2)c1
InChIInChI=1S/C10H5ClN2S/c11-9-5-8(6-12-7-9)1-2-10-13-3-4-14-10/h3-7H
InChIKeyGSLNKTDEEIHHTN-UHFFFAOYSA-N
MW220.68 g/mol
LogP2.59
Rot. Bonds

About 2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole

2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole (PubChem CID 23500886) has the molecular formula C10H5ClN2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole
PubChem CID23500886
Molecular FormulaC10H5ClN2S
Molecular Weight220.68 g/mol
Exact Mass219.99
IUPAC Name2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole
SMILESClc1cncc(C#Cc2nccs2)c1
InChIInChI=1S/C10H5ClN2S/c11-9-5-8(6-12-7-9)1-2-10-13-3-4-14-10/h3-7H
InChIKeyGSLNKTDEEIHHTN-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 164647695
2-(1,3-thiazol-2-yl)ethynethiol
CID 147703090
5-chloropyridine-3-carbonitrile
CID 12645070
5-[2-(5-chloro-3-pyridinyl)ethynyl]-2-fluorobenzonitrile
CID 67047901
5-[2-(5-chloro-3-pyridinyl)ethynyl]pyridine-2-carboxylic acid
CID 70896540
3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine
CID 67047870
1,3-thiazole-2-carbonitrile;hydrochloride
CID 162215282
3,5-dichloropyridine;ethane
CID 142010125
5-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 54974892
N-methyl-4-(1,3-thiazol-2-yl)but-3-yn-1-amine
CID 170463696
3-[2-(3-chlorophenyl)ethynyl]pyridine;hydrochloride
CID 67048219
3-chloro-5-fluoropyridine;hydrochloride
CID 133097839

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole?
The IUPAC name of 2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole (CID 23500886) is 2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole is Clc1cncc(C#Cc2nccs2)c1.
What is the InChIKey of 2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole?
The InChIKey is GSLNKTDEEIHHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2S/c11-9-5-8(6-12-7-9)1-2-10-13-3-4-14-10/h3-7H.
What are the key properties of 2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole?
2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole has a molecular weight of 220.68 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole is sourced from PubChem (CID 23500886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).