2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride

C18H25ClFN3S — CID 120768597

IUPAC2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
SMILESCC(C)(C)c1nc(CN2CCNCC2c2cccc(F)c2)cs1.Cl
InChIInChI=1S/C18H24FN3S.ClH/c1-18(2,3)17-21-15(12-23-17)11-22-8-7-20-10-16(22)13-5-4-6-14(19)9-13;/h4-6,9,12,16,20H,7-8,10-11H2,1-3H3;1H
InChIKeyAJESBPBZEFDWHH-UHFFFAOYSA-N
MW369.94 g/mol
LogP4.15
Rot. Bonds3

About 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride

2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride (PubChem CID 120768597) has the molecular formula C18H25ClFN3S and a molecular weight of 369.94 g/mol. Its IUPAC name is 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
PubChem CID120768597
Molecular FormulaC18H25ClFN3S
Molecular Weight369.94 g/mol
Exact Mass369.14
IUPAC Name2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
SMILESCC(C)(C)c1nc(CN2CCNCC2c2cccc(F)c2)cs1.Cl
InChIInChI=1S/C18H24FN3S.ClH/c1-18(2,3)17-21-15(12-23-17)11-22-8-7-20-10-16(22)13-5-4-6-14(19)9-13;/h4-6,9,12,16,20H,7-8,10-11H2,1-3H3;1H
InChIKeyAJESBPBZEFDWHH-UHFFFAOYSA-N
XLogP4.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride 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-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120768598
N-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 120757037
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
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
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 120757064

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride (CID 120768597) is 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride is CC(C)(C)c1nc(CN2CCNCC2c2cccc(F)c2)cs1.Cl.
What is the InChIKey of 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
The InChIKey is AJESBPBZEFDWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3S.ClH/c1-18(2,3)17-21-15(12-23-17)11-22-8-7-20-10-16(22)13-5-4-6-14(19)9-13;/h4-6,9,12,16,20H,7-8,10-11H2,1-3H3;1H.
What are the key properties of 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120768597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).