1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone

C18H17FN4O2S — CID 134799999

IUPAC1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc3sccn3c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17FN4O2S/c1-12(24)21-6-8-22(9-7-21)17(25)15-16(13-2-4-14(19)5-3-13)23-10-11-26-18(23)20-15/h2-5,10-11H,6-9H2,1H3
InChIKeyYWNGCIDADNPLOV-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.51
Rot. Bonds2

About 1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone

1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone (PubChem CID 134799999) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone
PubChem CID134799999
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc3sccn3c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17FN4O2S/c1-12(24)21-6-8-22(9-7-21)17(25)15-16(13-2-4-14(19)5-3-13)23-10-11-26-18(23)20-15/h2-5,10-11H,6-9H2,1H3
InChIKeyYWNGCIDADNPLOV-UHFFFAOYSA-N
XLogP2.51
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone (CID 134799999) is 1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2nc3sccn3c2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is YWNGCIDADNPLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-12(24)21-6-8-22(9-7-21)17(25)15-16(13-2-4-14(19)5-3-13)23-10-11-26-18(23)20-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone?
1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 372.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134799999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).