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

C22H18F2N4S — CID 118720253

IUPAC2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole
SMILESFc1cccc(F)c1-c1nc(-c2ccc3nccc(N4CCNCC4)c3c2)cs1
InChIInChI=1S/C22H18F2N4S/c23-16-2-1-3-17(24)21(16)22-27-19(13-29-22)14-4-5-18-15(12-14)20(6-7-26-18)28-10-8-25-9-11-28/h1-7,12-13,25H,8-11H2
InChIKeyHDECOLDRAJGUTB-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.71
Rot. Bonds3

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

2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole (PubChem CID 118720253) has the molecular formula C22H18F2N4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole
PubChem CID118720253
Molecular FormulaC22H18F2N4S
Molecular Weight408.48 g/mol
Exact Mass408.12
IUPAC Name2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole
SMILESFc1cccc(F)c1-c1nc(-c2ccc3nccc(N4CCNCC4)c3c2)cs1
InChIInChI=1S/C22H18F2N4S/c23-16-2-1-3-17(24)21(16)22-27-19(13-29-22)14-4-5-18-15(12-14)20(6-7-26-18)28-10-8-25-9-11-28/h1-7,12-13,25H,8-11H2
InChIKeyHDECOLDRAJGUTB-UHFFFAOYSA-N
XLogP4.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole (CID 118720253) is 2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole is Fc1cccc(F)c1-c1nc(-c2ccc3nccc(N4CCNCC4)c3c2)cs1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole?
The InChIKey is HDECOLDRAJGUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4S/c23-16-2-1-3-17(24)21(16)22-27-19(13-29-22)14-4-5-18-15(12-14)20(6-7-26-18)28-10-8-25-9-11-28/h1-7,12-13,25H,8-11H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole?
2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole has a molecular weight of 408.48 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole is sourced from PubChem (CID 118720253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).