N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C19H12ClF3N4OS — CID 45485724

IUPACN-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cn3ccsc3n2)c1
InChIInChI=1S/C19H12ClF3N4OS/c1-10-12(3-5-16(24-10)19(21,22)23)17(28)25-11-2-4-14(20)13(8-11)15-9-27-6-7-29-18(27)26-15/h2-9H,1H3,(H,25,28)
InChIKeyVFYKVHFFNGGOIO-UHFFFAOYSA-N
MW436.85 g/mol
LogP5.69
Rot. Bonds3

About N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 45485724) has the molecular formula C19H12ClF3N4OS and a molecular weight of 436.85 g/mol. Its IUPAC name is N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID45485724
Molecular FormulaC19H12ClF3N4OS
Molecular Weight436.85 g/mol
Exact Mass436.04
IUPAC NameN-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cn3ccsc3n2)c1
InChIInChI=1S/C19H12ClF3N4OS/c1-10-12(3-5-16(24-10)19(21,22)23)17(28)25-11-2-4-14(20)13(8-11)15-9-27-6-7-29-18(27)26-15/h2-9H,1H3,(H,25,28)
InChIKeyVFYKVHFFNGGOIO-UHFFFAOYSA-N
XLogP5.69
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.85
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 45485724) is N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cn3ccsc3n2)c1.
What is the InChIKey of N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VFYKVHFFNGGOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4OS/c1-10-12(3-5-16(24-10)19(21,22)23)17(28)25-11-2-4-14(20)13(8-11)15-9-27-6-7-29-18(27)26-15/h2-9H,1H3,(H,25,28).
What are the key properties of N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 436.85 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45485724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).