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

C20H16FN3OS — CID 134799910

IUPACN-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCc3ccc(F)cc3)nc3sccn23)cc1
InChIInChI=1S/C20H16FN3OS/c1-13-2-6-15(7-3-13)18-17(23-20-24(18)10-11-26-20)19(25)22-12-14-4-8-16(21)9-5-14/h2-11H,12H2,1H3,(H,22,25)
InChIKeySVKSAZOJGJFYIR-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.44
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134799910) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134799910
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCc3ccc(F)cc3)nc3sccn23)cc1
InChIInChI=1S/C20H16FN3OS/c1-13-2-6-15(7-3-13)18-17(23-20-24(18)10-11-26-20)19(25)22-12-14-4-8-16(21)9-5-14/h2-11H,12H2,1H3,(H,22,25)
InChIKeySVKSAZOJGJFYIR-UHFFFAOYSA-N
XLogP4.44
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134799910) is N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1ccc(-c2c(C(=O)NCc3ccc(F)cc3)nc3sccn23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is SVKSAZOJGJFYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c1-13-2-6-15(7-3-13)18-17(23-20-24(18)10-11-26-20)19(25)22-12-14-4-8-16(21)9-5-14/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134799910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).