N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C19H13F3N4OS — CID 134800066

IUPACN-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccccn1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)13-5-3-4-12(10-13)16-15(25-18-26(16)8-9-28-18)17(27)24-11-14-6-1-2-7-23-14/h1-10H,11H2,(H,24,27)
InChIKeyFRIJJJKETLLEIA-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.41
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134800066) has the molecular formula C19H13F3N4OS and a molecular weight of 402.40 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134800066
Molecular FormulaC19H13F3N4OS
Molecular Weight402.40 g/mol
Exact Mass402.08
IUPAC NameN-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccccn1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)13-5-3-4-12(10-13)16-15(25-18-26(16)8-9-28-18)17(27)24-11-14-6-1-2-7-23-14/h1-10H,11H2,(H,24,27)
InChIKeyFRIJJJKETLLEIA-UHFFFAOYSA-N
XLogP4.41
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134800066) is N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1ccccn1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is FRIJJJKETLLEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS/c20-19(21,22)13-5-3-4-12(10-13)16-15(25-18-26(16)8-9-28-18)17(27)24-11-14-6-1-2-7-23-14/h1-10H,11H2,(H,24,27).
What are the key properties of N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134800066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).