4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

C11H7ClN2S — CID 16662329

IUPAC4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2cncc(Cl)c2)cs1
InChIInChI=1S/C11H7ClN2S/c1-8-14-11(7-15-8)3-2-9-4-10(12)6-13-5-9/h4-7H,1H3
InChIKeyXBCYSQWDGWTRBU-UHFFFAOYSA-N
MW234.71 g/mol
LogP2.90
Rot. Bonds

About 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (PubChem CID 16662329) has the molecular formula C11H7ClN2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
PubChem CID16662329
Molecular FormulaC11H7ClN2S
Molecular Weight234.71 g/mol
Exact Mass234.00
IUPAC Name4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2cncc(Cl)c2)cs1
InChIInChI=1S/C11H7ClN2S/c1-8-14-11(7-15-8)3-2-9-4-10(12)6-13-5-9/h4-7H,1H3
InChIKeyXBCYSQWDGWTRBU-UHFFFAOYSA-N
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
3-[(2-Methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
CID 11608287
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448
3-[(2,5-Dimethyl-4-thiazolyl)ethynyl]pyridine
CID 11615445
3-Bromo-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11701860
4-[2-[5-(3-Chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16663206
4-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11095641
3-[(5-Ethyl-2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11572145

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (CID 16662329) is 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is Cc1nc(C#Cc2cncc(Cl)c2)cs1.
What is the InChIKey of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is XBCYSQWDGWTRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2S/c1-8-14-11(7-15-8)3-2-9-4-10(12)6-13-5-9/h4-7H,1H3.
What are the key properties of 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 234.71 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 16662329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).