2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole

C15H17F2N3S — CID 93213722

IUPAC2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
SMILESFc1cccc(F)c1-c1nc(CCN2CCNCC2)cs1
InChIInChI=1S/C15H17F2N3S/c16-12-2-1-3-13(17)14(12)15-19-11(10-21-15)4-7-20-8-5-18-6-9-20/h1-3,10,18H,4-9H2
InChIKeyLQEISJPCVQBKLB-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.54
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole

2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole (PubChem CID 93213722) has the molecular formula C15H17F2N3S and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
PubChem CID93213722
Molecular FormulaC15H17F2N3S
Molecular Weight309.38 g/mol
Exact Mass309.11
IUPAC Name2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
SMILESFc1cccc(F)c1-c1nc(CCN2CCNCC2)cs1
InChIInChI=1S/C15H17F2N3S/c16-12-2-1-3-13(17)14(12)15-19-11(10-21-15)4-7-20-8-5-18-6-9-20/h1-3,10,18H,4-9H2
InChIKeyLQEISJPCVQBKLB-UHFFFAOYSA-N
XLogP2.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole 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-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83971235
2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 96900907
4-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine
CID 82508561
2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065442
2-(2,6-difluorophenyl)-4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazole
CID 46083256
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058
N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110317259
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 95433584
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
2-(2-piperazin-1-yl-1,3-thiazol-4-yl)ethanamine
CID 82278115
4-chloro-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83158211

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole (CID 93213722) is 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole is Fc1cccc(F)c1-c1nc(CCN2CCNCC2)cs1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
The InChIKey is LQEISJPCVQBKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3S/c16-12-2-1-3-13(17)14(12)15-19-11(10-21-15)4-7-20-8-5-18-6-9-20/h1-3,10,18H,4-9H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole has a molecular weight of 309.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole is sourced from PubChem (CID 93213722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).