(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone

C23H21FN4OS — CID 24674451

IUPAC(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1
InChIInChI=1S/C23H21FN4OS/c24-19-9-5-4-8-18(19)22(29)27-12-10-26(11-13-27)16-20-21(17-6-2-1-3-7-17)25-23-28(20)14-15-30-23/h1-9,14-15H,10-13,16H2
InChIKeyPPYWLZQPNGTQRN-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.16
Rot. Bonds4

About (2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 24674451) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID24674451
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC Name(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1
InChIInChI=1S/C23H21FN4OS/c24-19-9-5-4-8-18(19)22(29)27-12-10-26(11-13-27)16-20-21(17-6-2-1-3-7-17)25-23-28(20)14-15-30-23/h1-9,14-15H,10-13,16H2
InChIKeyPPYWLZQPNGTQRN-UHFFFAOYSA-N
XLogP4.16
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42811168
(2-methoxyphenyl)-[4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 56902651
N,N-diethyl-1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 3481631
(2-fluorophenyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83290156
(2-chlorophenyl)-[4-[(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 42811274
(2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 83285872
6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 24594004
(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83274694
(2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 42811271
(2-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571769
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300
trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium
CID 4880467

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone (CID 24674451) is (2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is PPYWLZQPNGTQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c24-19-9-5-4-8-18(19)22(29)27-12-10-26(11-13-27)16-20-21(17-6-2-1-3-7-17)25-23-28(20)14-15-30-23/h1-9,14-15H,10-13,16H2.
What are the key properties of (2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 420.51 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24674451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).