2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole

C21H21FN2OS — CID 89427879

IUPAC2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole
SMILESFCCOc1ccccc1C1=CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C21H21FN2OS/c22-11-14-25-19-7-3-1-5-17(19)16-9-12-24(13-10-16)15-21-23-18-6-2-4-8-20(18)26-21/h1-9H,10-15H2
InChIKeyIWDZCTIGIXQVDH-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.93
Rot. Bonds6

About 2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole

2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole (PubChem CID 89427879) has the molecular formula C21H21FN2OS and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole
PubChem CID89427879
Molecular FormulaC21H21FN2OS
Molecular Weight368.48 g/mol
Exact Mass368.14
IUPAC Name2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole
SMILESFCCOc1ccccc1C1=CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C21H21FN2OS/c22-11-14-25-19-7-3-1-5-17(19)16-9-12-24(13-10-16)15-21-23-18-6-2-4-8-20(18)26-21/h1-9H,10-15H2
InChIKeyIWDZCTIGIXQVDH-UHFFFAOYSA-N
XLogP4.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole 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-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole?
The IUPAC name of 2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole (CID 89427879) is 2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole is FCCOc1ccccc1C1=CCN(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole?
The InChIKey is IWDZCTIGIXQVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2OS/c22-11-14-25-19-7-3-1-5-17(19)16-9-12-24(13-10-16)15-21-23-18-6-2-4-8-20(18)26-21/h1-9H,10-15H2.
What are the key properties of 2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole?
2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole has a molecular weight of 368.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2-fluoroethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazole is sourced from PubChem (CID 89427879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).