[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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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).