3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

C22H21FN6OS — CID 30940072

IUPAC3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1csc2nc(-c3ccccc3F)cn12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H21FN6OS/c23-18-5-2-1-4-17(18)19-14-29-16(15-31-22(29)26-19)6-7-20(30)27-10-12-28(13-11-27)21-24-8-3-9-25-21/h1-5,8-9,14-15H,6-7,10-13H2
InChIKeyCOLZRHXPCZIZMD-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.27
Rot. Bonds5

About 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 30940072) has the molecular formula C22H21FN6OS and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID30940072
Molecular FormulaC22H21FN6OS
Molecular Weight436.52 g/mol
Exact Mass436.15
IUPAC Name3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1csc2nc(-c3ccccc3F)cn12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H21FN6OS/c23-18-5-2-1-4-17(18)19-14-29-16(15-31-22(29)26-19)6-7-20(30)27-10-12-28(13-11-27)21-24-8-3-9-25-21/h1-5,8-9,14-15H,6-7,10-13H2
InChIKeyCOLZRHXPCZIZMD-UHFFFAOYSA-N
XLogP3.27
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 27377025
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propan-1-one
CID 30940141
3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide
CID 30940092
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 30939691
N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940055
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
N-(1,3-benzodioxol-5-ylmethyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939987
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propan-1-one
CID 30939669
N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940218
3-[(2-fluorophenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55568353
N-(5-chloro-2-methoxyphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940220
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109029805

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 30940072) is 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCc1csc2nc(-c3ccccc3F)cn12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is COLZRHXPCZIZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6OS/c23-18-5-2-1-4-17(18)19-14-29-16(15-31-22(29)26-19)6-7-20(30)27-10-12-28(13-11-27)21-24-8-3-9-25-21/h1-5,8-9,14-15H,6-7,10-13H2.
What are the key properties of 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 436.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 30940072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).