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

C18H11F3N2S — CID 16662264

IUPAC2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)cs1
InChIInChI=1S/C18H11F3N2S/c1-12-23-16(11-24-12)7-5-13-6-8-17(22-10-13)14-3-2-4-15(9-14)18(19,20)21/h2-4,6,8-11H,1H3
InChIKeyZYOZKWGFQMAXBA-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.93
Rot. Bonds1

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

2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole (PubChem CID 16662264) has the molecular formula C18H11F3N2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole
PubChem CID16662264
Molecular FormulaC18H11F3N2S
Molecular Weight344.36 g/mol
Exact Mass344.06
IUPAC Name2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)cs1
InChIInChI=1S/C18H11F3N2S/c1-12-23-16(11-24-12)7-5-13-6-8-17(22-10-13)14-3-2-4-15(9-14)18(19,20)21/h2-4,6,8-11H,1H3
InChIKeyZYOZKWGFQMAXBA-UHFFFAOYSA-N
XLogP4.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.93
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

Fatostatin
CID 1889993
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CID 738483
3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile
CID 16662948
3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole (CID 16662264) is 2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole is Cc1nc(C#Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)cs1.
What is the InChIKey of 2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole?
The InChIKey is ZYOZKWGFQMAXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2S/c1-12-23-16(11-24-12)7-5-13-6-8-17(22-10-13)14-3-2-4-15(9-14)18(19,20)21/h2-4,6,8-11H,1H3.
What are the key properties of 2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole?
2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole has a molecular weight of 344.36 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole is sourced from PubChem (CID 16662264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).