4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol

C16H13F2N5O2S — CID 142621183

IUPAC4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol
SMILESCCc1sc2cncn2c1C(O)c1cn(-c2cc(F)c(O)cc2F)nn1
InChIInChI=1S/C16H13F2N5O2S/c1-2-13-15(22-7-19-5-14(22)26-13)16(25)10-6-23(21-20-10)11-3-9(18)12(24)4-8(11)17/h3-7,16,24-25H,2H2,1H3
InChIKeyMFMRJZNZCMGCSS-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.60
Rot. Bonds4

About 4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol

4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol (PubChem CID 142621183) has the molecular formula C16H13F2N5O2S and a molecular weight of 377.38 g/mol. Its IUPAC name is 4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol.

Molecular Properties

Compound Name4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol
PubChem CID142621183
Molecular FormulaC16H13F2N5O2S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC Name4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol
SMILESCCc1sc2cncn2c1C(O)c1cn(-c2cc(F)c(O)cc2F)nn1
InChIInChI=1S/C16H13F2N5O2S/c1-2-13-15(22-7-19-5-14(22)26-13)16(25)10-6-23(21-20-10)11-3-9(18)12(24)4-8(11)17/h3-7,16,24-25H,2H2,1H3
InChIKeyMFMRJZNZCMGCSS-UHFFFAOYSA-N
XLogP2.60
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol?
The IUPAC name of 4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol (CID 142621183) is 4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol.
What is the SMILES notation for 4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol?
The canonical SMILES for 4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol is CCc1sc2cncn2c1C(O)c1cn(-c2cc(F)c(O)cc2F)nn1.
What is the InChIKey of 4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol?
The InChIKey is MFMRJZNZCMGCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2S/c1-2-13-15(22-7-19-5-14(22)26-13)16(25)10-6-23(21-20-10)11-3-9(18)12(24)4-8(11)17/h3-7,16,24-25H,2H2,1H3.
What are the key properties of 4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol?
4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol has a molecular weight of 377.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,5-difluorophenol is sourced from PubChem (CID 142621183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).