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4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

C18H12FN5S — CID 155815966

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(-c3c[nH]c4ncc(F)cc34)cs2)c2cccnc21
InChIInChI=1S/C18H12FN5S/c1-24-8-14(11-3-2-4-20-17(11)24)18-23-15(9-25-18)13-7-22-16-12(13)5-10(19)6-21-16/h2-9H,1H3,(H,21,22)
InChIKeySGRKYUZVFGRDEN-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.38
Rot. Bonds2

About 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole

4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 155815966) has the molecular formula C18H12FN5S and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID155815966
Molecular FormulaC18H12FN5S
Molecular Weight349.39 g/mol
Exact Mass349.08
IUPAC Name4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(-c3c[nH]c4ncc(F)cc34)cs2)c2cccnc21
InChIInChI=1S/C18H12FN5S/c1-24-8-14(11-3-2-4-20-17(11)24)18-23-15(9-25-18)13-7-22-16-12(13)5-10(19)6-21-16/h2-9H,1H3,(H,21,22)
InChIKeySGRKYUZVFGRDEN-UHFFFAOYSA-N
XLogP4.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 155815966) is 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Cn1cc(-c2nc(-c3c[nH]c4ncc(F)cc34)cs2)c2cccnc21.
What is the InChIKey of 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is SGRKYUZVFGRDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5S/c1-24-8-14(11-3-2-4-20-17(11)24)18-23-15(9-25-18)13-7-22-16-12(13)5-10(19)6-21-16/h2-9H,1H3,(H,21,22).
What are the key properties of 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 349.39 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 155815966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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