6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C15H12F3N3O2S — CID 126470093

IUPAC6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O2S/c1-9-12(21-5-6-24-14(21)20-9)13(22)19-8-10-3-2-4-11(7-10)23-15(16,17)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyXUNNBEFNVLIHOB-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.53
Rot. Bonds4

About 6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 126470093) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID126470093
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O2S/c1-9-12(21-5-6-24-14(21)20-9)13(22)19-8-10-3-2-4-11(7-10)23-15(16,17)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyXUNNBEFNVLIHOB-UHFFFAOYSA-N
XLogP3.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 126470093) is 6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is XUNNBEFNVLIHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c1-9-12(21-5-6-24-14(21)20-9)13(22)19-8-10-3-2-4-11(7-10)23-15(16,17)18/h2-7H,8H2,1H3,(H,19,22).
What are the key properties of 6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 126470093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).