6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine

C15H9FN2S — CID 67959339

IUPAC6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cc(C#Cc2cnc3ncsc3c2)ccc1F
InChIInChI=1S/C15H9FN2S/c1-10-6-11(4-5-13(10)16)2-3-12-7-14-15(17-8-12)18-9-19-14/h4-9H,1H3
InChIKeyUTVOKPWLTQGFTP-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.54
Rot. Bonds

About 6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine

6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 67959339) has the molecular formula C15H9FN2S and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID67959339
Molecular FormulaC15H9FN2S
Molecular Weight268.32 g/mol
Exact Mass268.05
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cc(C#Cc2cnc3ncsc3c2)ccc1F
InChIInChI=1S/C15H9FN2S/c1-10-6-11(4-5-13(10)16)2-3-12-7-14-15(17-8-12)18-9-19-14/h4-9H,1H3
InChIKeyUTVOKPWLTQGFTP-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.54
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

6-[2-(2,4-difluorophenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine
CID 50913896
4-(2-bromoethynyl)-1-fluoro-2-methylbenzene
CID 44632069
2-[2-(4-fluoro-3-methylphenyl)ethynyl]thiophene
CID 141140890
4-(4-fluoro-3-methylphenyl)but-3-yn-2-ol
CID 130055776
4-fluoro-3-methylbenzonitrile
CID 2779180
5-fluoro-6-methyl-1,3-benzothiazole;propane
CID 143386612
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
4-[2-(3-bromo-4-fluorophenyl)ethynyl]-2-methylpyridine
CID 59763879
2-[4-[3-(4-fluoro-3-methylphenyl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole
CID 68530558
1-fluoro-2-methyl-4-non-1-ynylbenzene
CID 146003504
5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 122510821
1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol
CID 146003506

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine (CID 67959339) is 6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine is Cc1cc(C#Cc2cnc3ncsc3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is UTVOKPWLTQGFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2S/c1-10-6-11(4-5-13(10)16)2-3-12-7-14-15(17-8-12)18-9-19-14/h4-9H,1H3.
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine?
6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 268.32 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)ethynyl]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 67959339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).