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

C21H15ClF3N3OS — CID 134799487

IUPACN-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15ClF3N3OS/c22-16-7-1-13(2-8-16)9-10-26-19(29)17-18(28-11-12-30-20(28)27-17)14-3-5-15(6-4-14)21(23,24)25/h1-8,11-12H,9-10H2,(H,26,29)
InChIKeyOBKRETQBQFUVEG-UHFFFAOYSA-N
MW449.89 g/mol
LogP5.71
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134799487) has the molecular formula C21H15ClF3N3OS and a molecular weight of 449.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134799487
Molecular FormulaC21H15ClF3N3OS
Molecular Weight449.89 g/mol
Exact Mass449.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15ClF3N3OS/c22-16-7-1-13(2-8-16)9-10-26-19(29)17-18(28-11-12-30-20(28)27-17)14-3-5-15(6-4-14)21(23,24)25/h1-8,11-12H,9-10H2,(H,26,29)
InChIKeyOBKRETQBQFUVEG-UHFFFAOYSA-N
XLogP5.71
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.89
LogP ≤ 55.71
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-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134799487) is N-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is OBKRETQBQFUVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3OS/c22-16-7-1-13(2-8-16)9-10-26-19(29)17-18(28-11-12-30-20(28)27-17)14-3-5-15(6-4-14)21(23,24)25/h1-8,11-12H,9-10H2,(H,26,29).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 449.89 g/mol, XLogP of 5.71, 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-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134799487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).