N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H15F3N4O2S — CID 45216300

IUPACN-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(c1ccon1)N(C)C(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12
InChIInChI=1S/C19H15F3N4O2S/c1-11(14-6-7-28-24-14)25(2)17(27)16-10-29-18-23-15(9-26(16)18)12-4-3-5-13(8-12)19(20,21)22/h3-11H,1-2H3
InChIKeyZFTDXNZMJUDVTC-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.90
Rot. Bonds4

About N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 45216300) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID45216300
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC NameN-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(c1ccon1)N(C)C(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12
InChIInChI=1S/C19H15F3N4O2S/c1-11(14-6-7-28-24-14)25(2)17(27)16-10-29-18-23-15(9-26(16)18)12-4-3-5-13(8-12)19(20,21)22/h3-11H,1-2H3
InChIKeyZFTDXNZMJUDVTC-UHFFFAOYSA-N
XLogP4.90
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 45216300) is N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC(c1ccon1)N(C)C(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12.
What is the InChIKey of N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is ZFTDXNZMJUDVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c1-11(14-6-7-28-24-14)25(2)17(27)16-10-29-18-23-15(9-26(16)18)12-4-3-5-13(8-12)19(20,21)22/h3-11H,1-2H3.
What are the key properties of N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 45216300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).