N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C21H18FN3OS — CID 134797411

IUPACN-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCCc3ccccc3F)nc3sccn23)cc1
InChIInChI=1S/C21H18FN3OS/c1-14-6-8-16(9-7-14)19-18(24-21-25(19)12-13-27-21)20(26)23-11-10-15-4-2-3-5-17(15)22/h2-9,12-13H,10-11H2,1H3,(H,23,26)
InChIKeyNQMAZNOZBNPIBK-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.48
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797411) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797411
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCCc3ccccc3F)nc3sccn23)cc1
InChIInChI=1S/C21H18FN3OS/c1-14-6-8-16(9-7-14)19-18(24-21-25(19)12-13-27-21)20(26)23-11-10-15-4-2-3-5-17(15)22/h2-9,12-13H,10-11H2,1H3,(H,23,26)
InChIKeyNQMAZNOZBNPIBK-UHFFFAOYSA-N
XLogP4.48
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798388
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799910
N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799295
3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068890
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795862
N-(3-methoxypropyl)-5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797519
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945715

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797411) is N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1ccc(-c2c(C(=O)NCCc3ccccc3F)nc3sccn23)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is NQMAZNOZBNPIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-14-6-8-16(9-7-14)19-18(24-21-25(19)12-13-27-21)20(26)23-11-10-15-4-2-3-5-17(15)22/h2-9,12-13H,10-11H2,1H3,(H,23,26).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).