(2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride

C17H22Cl2FN3OS — CID 120572291

IUPAC(2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride
SMILESCC1NCCN(C(=O)c2csc(Cc3ccccc3F)n2)C1C.Cl.Cl
InChIInChI=1S/C17H20FN3OS.2ClH/c1-11-12(2)21(8-7-19-11)17(22)15-10-23-16(20-15)9-13-5-3-4-6-14(13)18;;/h3-6,10-12,19H,7-9H2,1-2H3;2*1H
InChIKeyKOMDDDCVGSSZOY-UHFFFAOYSA-N
MW406.35 g/mol
LogP3.54
Rot. Bonds3

About (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride

(2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride (PubChem CID 120572291) has the molecular formula C17H22Cl2FN3OS and a molecular weight of 406.35 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride
PubChem CID120572291
Molecular FormulaC17H22Cl2FN3OS
Molecular Weight406.35 g/mol
Exact Mass405.08
IUPAC Name(2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride
SMILESCC1NCCN(C(=O)c2csc(Cc3ccccc3F)n2)C1C.Cl.Cl
InChIInChI=1S/C17H20FN3OS.2ClH/c1-11-12(2)21(8-7-19-11)17(22)15-10-23-16(20-15)9-13-5-3-4-6-14(13)18;;/h3-6,10-12,19H,7-9H2,1-2H3;2*1H
InChIKeyKOMDDDCVGSSZOY-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride 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-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570547
[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119648906
2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120576827
[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone
CID 136545307
(2S)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 99639921
1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166749
(2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 120569866
(2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
CID 56792147
2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 86967605
1-(2,3-dimethylpiperazin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 120572802
[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120570866
3-[(3R)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124702022

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride (CID 120572291) is (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride is CC1NCCN(C(=O)c2csc(Cc3ccccc3F)n2)C1C.Cl.Cl.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride?
The InChIKey is KOMDDDCVGSSZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS.2ClH/c1-11-12(2)21(8-7-19-11)17(22)15-10-23-16(20-15)9-13-5-3-4-6-14(13)18;;/h3-6,10-12,19H,7-9H2,1-2H3;2*1H.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride?
(2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride has a molecular weight of 406.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 120572291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).