2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole

C22H26FN3OS — CID 54580065

IUPAC2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESFc1cccc2c(-c3nc(CN4CCCC4)cs3)cn(CC3CCOCC3)c12
InChIInChI=1S/C22H26FN3OS/c23-20-5-3-4-18-19(14-26(21(18)20)12-16-6-10-27-11-7-16)22-24-17(15-28-22)13-25-8-1-2-9-25/h3-5,14-16H,1-2,6-13H2
InChIKeyIFGNRLNOPNZQDV-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.93
Rot. Bonds5

About 2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole

2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole (PubChem CID 54580065) has the molecular formula C22H26FN3OS and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
PubChem CID54580065
Molecular FormulaC22H26FN3OS
Molecular Weight399.54 g/mol
Exact Mass399.18
IUPAC Name2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESFc1cccc2c(-c3nc(CN4CCCC4)cs3)cn(CC3CCOCC3)c12
InChIInChI=1S/C22H26FN3OS/c23-20-5-3-4-18-19(14-26(21(18)20)12-16-6-10-27-11-7-16)22-24-17(15-28-22)13-25-8-1-2-9-25/h3-5,14-16H,1-2,6-13H2
InChIKeyIFGNRLNOPNZQDV-UHFFFAOYSA-N
XLogP4.93
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-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-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole (CID 54580065) is 2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole is Fc1cccc2c(-c3nc(CN4CCCC4)cs3)cn(CC3CCOCC3)c12.
What is the InChIKey of 2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is IFGNRLNOPNZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3OS/c23-20-5-3-4-18-19(14-26(21(18)20)12-16-6-10-27-11-7-16)22-24-17(15-28-22)13-25-8-1-2-9-25/h3-5,14-16H,1-2,6-13H2.
What are the key properties of 2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 399.54 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 54580065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).