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

C16H10FN3S — CID 54613608

IUPAC2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3c[nH]c4ncccc34)cs2)cc1
InChIInChI=1S/C16H10FN3S/c17-11-5-3-10(4-6-11)16-20-14(9-21-16)13-8-19-15-12(13)2-1-7-18-15/h1-9H,(H,18,19)
InChIKeyCPBORNLZFSBVSM-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.49
Rot. Bonds2

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

2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (PubChem CID 54613608) has the molecular formula C16H10FN3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
PubChem CID54613608
Molecular FormulaC16H10FN3S
Molecular Weight295.34 g/mol
Exact Mass295.06
IUPAC Name2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3c[nH]c4ncccc34)cs2)cc1
InChIInChI=1S/C16H10FN3S/c17-11-5-3-10(4-6-11)16-20-14(9-21-16)13-8-19-15-12(13)2-1-7-18-15/h1-9H,(H,18,19)
InChIKeyCPBORNLZFSBVSM-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole (CID 54613608) is 2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is Fc1ccc(-c2nc(-c3c[nH]c4ncccc34)cs2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
The InChIKey is CPBORNLZFSBVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3S/c17-11-5-3-10(4-6-11)16-20-14(9-21-16)13-8-19-15-12(13)2-1-7-18-15/h1-9H,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole?
2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole has a molecular weight of 295.34 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 54613608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).