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

C20H15ClFN3OS — CID 134796745

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc2sccn2c1-c1ccc(F)cc1
InChIInChI=1S/C20H15ClFN3OS/c21-15-5-1-13(2-6-15)9-10-23-19(26)17-18(14-3-7-16(22)8-4-14)25-11-12-27-20(25)24-17/h1-8,11-12H,9-10H2,(H,23,26)
InChIKeyIURKKVFKPHXCLR-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.83
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134796745) has the molecular formula C20H15ClFN3OS and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134796745
Molecular FormulaC20H15ClFN3OS
Molecular Weight399.88 g/mol
Exact Mass399.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc2sccn2c1-c1ccc(F)cc1
InChIInChI=1S/C20H15ClFN3OS/c21-15-5-1-13(2-6-15)9-10-23-19(26)17-18(14-3-7-16(22)8-4-14)25-11-12-27-20(25)24-17/h1-8,11-12H,9-10H2,(H,23,26)
InChIKeyIURKKVFKPHXCLR-UHFFFAOYSA-N
XLogP4.83
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134796745) is N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1nc2sccn2c1-c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is IURKKVFKPHXCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3OS/c21-15-5-1-13(2-6-15)9-10-23-19(26)17-18(14-3-7-16(22)8-4-14)25-11-12-27-20(25)24-17/h1-8,11-12H,9-10H2,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134796745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).