4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol

C17H13F2N5O2S — CID 142621166

IUPAC4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol
SMILESOc1c(F)cc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1F
InChIInChI=1S/C17H13F2N5O2S/c18-10-3-9(4-11(19)15(10)25)24-6-12(21-22-24)16(26)14-17(8-1-2-8)27-13-5-20-7-23(13)14/h3-8,16,25-26H,1-2H2
InChIKeyRZQUUMPFOANBFN-UHFFFAOYSA-N
MW389.39 g/mol
LogP2.92
Rot. Bonds4

About 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol

4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol (PubChem CID 142621166) has the molecular formula C17H13F2N5O2S and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol
PubChem CID142621166
Molecular FormulaC17H13F2N5O2S
Molecular Weight389.39 g/mol
Exact Mass389.08
IUPAC Name4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol
SMILESOc1c(F)cc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1F
InChIInChI=1S/C17H13F2N5O2S/c18-10-3-9(4-11(19)15(10)25)24-6-12(21-22-24)16(26)14-17(8-1-2-8)27-13-5-20-7-23(13)14/h3-8,16,25-26H,1-2H2
InChIKeyRZQUUMPFOANBFN-UHFFFAOYSA-N
XLogP2.92
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol?
The IUPAC name of 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol (CID 142621166) is 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol.
What is the SMILES notation for 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol?
The canonical SMILES for 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol is Oc1c(F)cc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1F.
What is the InChIKey of 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol?
The InChIKey is RZQUUMPFOANBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2S/c18-10-3-9(4-11(19)15(10)25)24-6-12(21-22-24)16(26)14-17(8-1-2-8)27-13-5-20-7-23(13)14/h3-8,16,25-26H,1-2H2.
What are the key properties of 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol?
4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol has a molecular weight of 389.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2,6-difluorophenol is sourced from PubChem (CID 142621166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).