[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

C16H18ClF2N3OS — CID 120570547

IUPAC[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C1C.Cl
InChIInChI=1S/C16H17F2N3OS.ClH/c1-9-10(2)21(7-6-19-9)16(22)13-8-23-15(20-13)14-11(17)4-3-5-12(14)18;/h3-5,8-10,19H,6-7H2,1-2H3;1H
InChIKeyGPRQKBWGDHMUAP-UHFFFAOYSA-N
MW373.86 g/mol
LogP3.33
Rot. Bonds2

About [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120570547) has the molecular formula C16H18ClF2N3OS and a molecular weight of 373.86 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120570547
Molecular FormulaC16H18ClF2N3OS
Molecular Weight373.86 g/mol
Exact Mass373.08
IUPAC Name[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C1C.Cl
InChIInChI=1S/C16H17F2N3OS.ClH/c1-9-10(2)21(7-6-19-9)16(22)13-8-23-15(20-13)14-11(17)4-3-5-12(14)18;/h3-5,8-10,19H,6-7H2,1-2H3;1H
InChIKeyGPRQKBWGDHMUAP-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride 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-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 120570547) is [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is CC1NCCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C1C.Cl.
What is the InChIKey of [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is GPRQKBWGDHMUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS.ClH/c1-9-10(2)21(7-6-19-9)16(22)13-8-23-15(20-13)14-11(17)4-3-5-12(14)18;/h3-5,8-10,19H,6-7H2,1-2H3;1H.
What are the key properties of [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120570547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).