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

C20H16FN3O2S — CID 134797697

IUPAC5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3sccn3c2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN3O2S/c1-26-16-4-2-3-13(11-16)12-22-19(25)17-18(14-5-7-15(21)8-6-14)24-9-10-27-20(24)23-17/h2-11H,12H2,1H3,(H,22,25)
InChIKeyKIAHFEALPUPJSH-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.14
Rot. Bonds5

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

5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797697) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797697
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3sccn3c2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN3O2S/c1-26-16-4-2-3-13(11-16)12-22-19(25)17-18(14-5-7-15(21)8-6-14)24-9-10-27-20(24)23-17/h2-11H,12H2,1H3,(H,22,25)
InChIKeyKIAHFEALPUPJSH-UHFFFAOYSA-N
XLogP4.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797697) is 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1cccc(CNC(=O)c2nc3sccn3c2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is KIAHFEALPUPJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-26-16-4-2-3-13(11-16)12-22-19(25)17-18(14-5-7-15(21)8-6-14)24-9-10-27-20(24)23-17/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).