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

C20H14F3N3O2S — CID 134796135

IUPACN-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3sccn3c2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H14F3N3O2S/c1-28-15-7-5-14(6-8-15)24-18(27)16-17(26-9-10-29-19(26)25-16)12-3-2-4-13(11-12)20(21,22)23/h2-11H,1H3,(H,24,27)
InChIKeyNSMXGPCTRVKADQ-UHFFFAOYSA-N
MW417.41 g/mol
LogP5.34
Rot. Bonds4

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

N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134796135) has the molecular formula C20H14F3N3O2S and a molecular weight of 417.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134796135
Molecular FormulaC20H14F3N3O2S
Molecular Weight417.41 g/mol
Exact Mass417.08
IUPAC NameN-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3sccn3c2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H14F3N3O2S/c1-28-15-7-5-14(6-8-15)24-18(27)16-17(26-9-10-29-19(26)25-16)12-3-2-4-13(11-12)20(21,22)23/h2-11H,1H3,(H,24,27)
InChIKeyNSMXGPCTRVKADQ-UHFFFAOYSA-N
XLogP5.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.41
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134796135) is N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1ccc(NC(=O)c2nc3sccn3c2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is NSMXGPCTRVKADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2S/c1-28-15-7-5-14(6-8-15)24-18(27)16-17(26-9-10-29-19(26)25-16)12-3-2-4-13(11-12)20(21,22)23/h2-11H,1H3,(H,24,27).
What are the key properties of N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134796135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).