2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole

C15H11F3N6S — CID 20812124

IUPAC2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)Cn1c(Cn2ccnc2-c2nccs2)nc2cccnc21
InChIInChI=1S/C15H11F3N6S/c16-15(17,18)9-24-11(22-10-2-1-3-19-12(10)24)8-23-6-4-20-13(23)14-21-5-7-25-14/h1-7H,8-9H2
InChIKeyNTAQDILFCAUYHQ-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.36
Rot. Bonds4

About 2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole

2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole (PubChem CID 20812124) has the molecular formula C15H11F3N6S and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
PubChem CID20812124
Molecular FormulaC15H11F3N6S
Molecular Weight364.36 g/mol
Exact Mass364.07
IUPAC Name2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)Cn1c(Cn2ccnc2-c2nccs2)nc2cccnc21
InChIInChI=1S/C15H11F3N6S/c16-15(17,18)9-24-11(22-10-2-1-3-19-12(10)24)8-23-6-4-20-13(23)14-21-5-7-25-14/h1-7H,8-9H2
InChIKeyNTAQDILFCAUYHQ-UHFFFAOYSA-N
XLogP3.36
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole (CID 20812124) is 2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole is FC(F)(F)Cn1c(Cn2ccnc2-c2nccs2)nc2cccnc21.
What is the InChIKey of 2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
The InChIKey is NTAQDILFCAUYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6S/c16-15(17,18)9-24-11(22-10-2-1-3-19-12(10)24)8-23-6-4-20-13(23)14-21-5-7-25-14/h1-7H,8-9H2.
What are the key properties of 2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 364.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 20812124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).