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

C22H18F3N3O2S — CID 134797016

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nc3sccn3c2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H18F3N3O2S/c1-30-17-7-5-14(6-8-17)9-10-26-20(29)18-19(28-11-12-31-21(28)27-18)15-3-2-4-16(13-15)22(23,24)25/h2-8,11-13H,9-10H2,1H3,(H,26,29)
InChIKeyOUKHZEQYBBIETA-UHFFFAOYSA-N
MW445.47 g/mol
LogP5.06
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797016) has the molecular formula C22H18F3N3O2S and a molecular weight of 445.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797016
Molecular FormulaC22H18F3N3O2S
Molecular Weight445.47 g/mol
Exact Mass445.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nc3sccn3c2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H18F3N3O2S/c1-30-17-7-5-14(6-8-17)9-10-26-20(29)18-19(28-11-12-31-21(28)27-18)15-3-2-4-16(13-15)22(23,24)25/h2-8,11-13H,9-10H2,1H3,(H,26,29)
InChIKeyOUKHZEQYBBIETA-UHFFFAOYSA-N
XLogP5.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797016) is N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1ccc(CCNC(=O)c2nc3sccn3c2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is OUKHZEQYBBIETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2S/c1-30-17-7-5-14(6-8-17)9-10-26-20(29)18-19(28-11-12-31-21(28)27-18)15-3-2-4-16(13-15)22(23,24)25/h2-8,11-13H,9-10H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 445.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).