2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C17H12FN3S — CID 53361472

IUPAC2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESCn1cc(-c2csc(-c3cccc(F)c3)n2)c2cccnc21
InChIInChI=1S/C17H12FN3S/c1-21-9-14(13-6-3-7-19-16(13)21)15-10-22-17(20-15)11-4-2-5-12(18)8-11/h2-10H,1H3
InChIKeyYLXMCAADMWSAEH-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.50
Rot. Bonds2

About 2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 53361472) has the molecular formula C17H12FN3S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID53361472
Molecular FormulaC17H12FN3S
Molecular Weight309.37 g/mol
Exact Mass309.07
IUPAC Name2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESCn1cc(-c2csc(-c3cccc(F)c3)n2)c2cccnc21
InChIInChI=1S/C17H12FN3S/c1-21-9-14(13-6-3-7-19-16(13)21)15-10-22-17(20-15)11-4-2-5-12(18)8-11/h2-10H,1H3
InChIKeyYLXMCAADMWSAEH-UHFFFAOYSA-N
XLogP4.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 53361472) is 2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Cn1cc(-c2csc(-c3cccc(F)c3)n2)c2cccnc21.
What is the InChIKey of 2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is YLXMCAADMWSAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3S/c1-21-9-14(13-6-3-7-19-16(13)21)15-10-22-17(20-15)11-4-2-5-12(18)8-11/h2-10H,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 309.37 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 53361472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).