N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C21H18FN3O2S — CID 134797570

IUPACN-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(-c2c(C(=O)NCCc3ccccc3F)nc3sccn23)c1
InChIInChI=1S/C21H18FN3O2S/c1-27-16-7-4-6-15(13-16)19-18(24-21-25(19)11-12-28-21)20(26)23-10-9-14-5-2-3-8-17(14)22/h2-8,11-13H,9-10H2,1H3,(H,23,26)
InChIKeyKGXVLVLEIXNEPU-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.18
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797570) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797570
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(-c2c(C(=O)NCCc3ccccc3F)nc3sccn23)c1
InChIInChI=1S/C21H18FN3O2S/c1-27-16-7-4-6-15(13-16)19-18(24-21-25(19)11-12-28-21)20(26)23-10-9-14-5-2-3-8-17(14)22/h2-8,11-13H,9-10H2,1H3,(H,23,26)
InChIKeyKGXVLVLEIXNEPU-UHFFFAOYSA-N
XLogP4.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797570) is N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1cccc(-c2c(C(=O)NCCc3ccccc3F)nc3sccn23)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is KGXVLVLEIXNEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-27-16-7-4-6-15(13-16)19-18(24-21-25(19)11-12-28-21)20(26)23-10-9-14-5-2-3-8-17(14)22/h2-8,11-13H,9-10H2,1H3,(H,23,26).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).