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

C18H11FN4S — CID 155817128

IUPAC2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole
SMILESFc1ccc2[nH]cc(-c3nc(-c4c[nH]c5ccncc45)cs3)c2c1
InChIInChI=1S/C18H11FN4S/c19-10-1-2-15-11(5-10)14(8-22-15)18-23-17(9-24-18)13-7-21-16-3-4-20-6-12(13)16/h1-9,21-22H
InChIKeyNOWFYKNWHZWMOO-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.97
Rot. Bonds2

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

2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole (PubChem CID 155817128) has the molecular formula C18H11FN4S and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole
PubChem CID155817128
Molecular FormulaC18H11FN4S
Molecular Weight334.38 g/mol
Exact Mass334.07
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole
SMILESFc1ccc2[nH]cc(-c3nc(-c4c[nH]c5ccncc45)cs3)c2c1
InChIInChI=1S/C18H11FN4S/c19-10-1-2-15-11(5-10)14(8-22-15)18-23-17(9-24-18)13-7-21-16-3-4-20-6-12(13)16/h1-9,21-22H
InChIKeyNOWFYKNWHZWMOO-UHFFFAOYSA-N
XLogP4.97
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole (CID 155817128) is 2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole is Fc1ccc2[nH]cc(-c3nc(-c4c[nH]c5ccncc45)cs3)c2c1.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole?
The InChIKey is NOWFYKNWHZWMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4S/c19-10-1-2-15-11(5-10)14(8-22-15)18-23-17(9-24-18)13-7-21-16-3-4-20-6-12(13)16/h1-9,21-22H.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole?
2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole has a molecular weight of 334.38 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 155817128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).