2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C20H27FN4S — CID 120768488

IUPAC2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)N1CCc2nc(CN3CCNCC3c3cccc(F)c3)sc2C1
InChIInChI=1S/C20H27FN4S/c1-14(2)24-8-6-17-19(12-24)26-20(23-17)13-25-9-7-22-11-18(25)15-4-3-5-16(21)10-15/h3-5,10,14,18,22H,6-9,11-13H2,1-2H3
InChIKeyXDAVETJXDZEIRC-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.20
Rot. Bonds4

About 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 120768488) has the molecular formula C20H27FN4S and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID120768488
Molecular FormulaC20H27FN4S
Molecular Weight374.53 g/mol
Exact Mass374.19
IUPAC Name2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)N1CCc2nc(CN3CCNCC3c3cccc(F)c3)sc2C1
InChIInChI=1S/C20H27FN4S/c1-14(2)24-8-6-17-19(12-24)26-20(23-17)13-25-9-7-22-11-18(25)15-4-3-5-16(21)10-15/h3-5,10,14,18,22H,6-9,11-13H2,1-2H3
InChIKeyXDAVETJXDZEIRC-UHFFFAOYSA-N
XLogP3.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrochloride
CID 120911881
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 120768704
2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 120756439
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120768598
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120768597
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 120756729

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 120768488) is 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CC(C)N1CCc2nc(CN3CCNCC3c3cccc(F)c3)sc2C1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is XDAVETJXDZEIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4S/c1-14(2)24-8-6-17-19(12-24)26-20(23-17)13-25-9-7-22-11-18(25)15-4-3-5-16(21)10-15/h3-5,10,14,18,22H,6-9,11-13H2,1-2H3.
What are the key properties of 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 374.53 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 120768488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).