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

C19H14F3N5OS — CID 45209107

IUPACN-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)c1ccncn1
InChIInChI=1S/C19H14F3N5OS/c1-11(14-5-6-23-10-24-14)25-17(28)16-9-29-18-26-15(8-27(16)18)12-3-2-4-13(7-12)19(20,21)22/h2-11H,1H3,(H,25,28)
InChIKeyHINQOUVRGAYNNQ-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.36
Rot. Bonds4

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

N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 45209107) has the molecular formula C19H14F3N5OS and a molecular weight of 417.42 g/mol. Its IUPAC name is N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID45209107
Molecular FormulaC19H14F3N5OS
Molecular Weight417.42 g/mol
Exact Mass417.09
IUPAC NameN-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)c1ccncn1
InChIInChI=1S/C19H14F3N5OS/c1-11(14-5-6-23-10-24-14)25-17(28)16-9-29-18-26-15(8-27(16)18)12-3-2-4-13(7-12)19(20,21)22/h2-11H,1H3,(H,25,28)
InChIKeyHINQOUVRGAYNNQ-UHFFFAOYSA-N
XLogP4.36
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 45209107) is N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC(NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)c1ccncn1.
What is the InChIKey of N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is HINQOUVRGAYNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS/c1-11(14-5-6-23-10-24-14)25-17(28)16-9-29-18-26-15(8-27(16)18)12-3-2-4-13(7-12)19(20,21)22/h2-11H,1H3,(H,25,28).
What are the key properties of N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 45209107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).