N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H14F3N5OS — CID 16579187

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C22H14F3N5OS/c23-22(24,25)19-17(12-26-30(19)16-4-2-1-3-5-16)20(31)27-15-8-6-14(7-9-15)18-13-29-10-11-32-21(29)28-18/h1-13H,(H,27,31)
InChIKeyKUJZSNUGUDBCOT-UHFFFAOYSA-N
MW453.45 g/mol
LogP5.52
Rot. Bonds4

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 16579187) has the molecular formula C22H14F3N5OS and a molecular weight of 453.45 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID16579187
Molecular FormulaC22H14F3N5OS
Molecular Weight453.45 g/mol
Exact Mass453.09
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C22H14F3N5OS/c23-22(24,25)19-17(12-26-30(19)16-4-2-1-3-5-16)20(31)27-15-8-6-14(7-9-15)18-13-29-10-11-32-21(29)28-18/h1-13H,(H,27,31)
InChIKeyKUJZSNUGUDBCOT-UHFFFAOYSA-N
XLogP5.52
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 16579187) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is KUJZSNUGUDBCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5OS/c23-22(24,25)19-17(12-26-30(19)16-4-2-1-3-5-16)20(31)27-15-8-6-14(7-9-15)18-13-29-10-11-32-21(29)28-18/h1-13H,(H,27,31).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16579187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).