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

C23H21FN4OS — CID 3241564

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C23H21FN4OS/c1-16-21(30-23-25-19(15-28(16)23)17-7-3-2-4-8-17)22(29)27-13-11-26(12-14-27)20-10-6-5-9-18(20)24/h2-10,15H,11-14H2,1H3
InChIKeyPKVZGMJEOAJCSM-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.47
Rot. Bonds3

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

[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone (PubChem CID 3241564) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
PubChem CID3241564
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C23H21FN4OS/c1-16-21(30-23-25-19(15-28(16)23)17-7-3-2-4-8-17)22(29)27-13-11-26(12-14-27)20-10-6-5-9-18(20)24/h2-10,15H,11-14H2,1H3
InChIKeyPKVZGMJEOAJCSM-UHFFFAOYSA-N
XLogP4.47
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Srt-2104
CID 25108829
2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
N-(2-(3-(piperazin-1-ylmethyl)imidazo(2,1-b)thiazol-6-yl)phenyl)quinoxaline-2-carboxamide
CID 24180125
2-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018313
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 44579351
N-(3-(5-(2-(4-(2-(dimethylamino)ethyl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46865992
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
3-(difluoromethylsulfanyl)-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 25233238

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone (CID 3241564) is [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone is Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
The InChIKey is PKVZGMJEOAJCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c1-16-21(30-23-25-19(15-28(16)23)17-7-3-2-4-8-17)22(29)27-13-11-26(12-14-27)20-10-6-5-9-18(20)24/h2-10,15H,11-14H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone has a molecular weight of 420.51 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone is sourced from PubChem (CID 3241564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).