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

C17H14FN5O2S — CID 142621340

IUPAC4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol
SMILESOc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c(F)c1
InChIInChI=1S/C17H14FN5O2S/c18-11-5-10(24)3-4-13(11)23-7-12(20-21-23)16(25)15-17(9-1-2-9)26-14-6-19-8-22(14)15/h3-9,16,24-25H,1-2H2
InChIKeyFELFJYUDAWUFNM-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.78
Rot. Bonds4

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

4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol (PubChem CID 142621340) has the molecular formula C17H14FN5O2S and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol
PubChem CID142621340
Molecular FormulaC17H14FN5O2S
Molecular Weight371.40 g/mol
Exact Mass371.09
IUPAC Name4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol
SMILESOc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c(F)c1
InChIInChI=1S/C17H14FN5O2S/c18-11-5-10(24)3-4-13(11)23-7-12(20-21-23)16(25)15-17(9-1-2-9)26-14-6-19-8-22(14)15/h3-9,16,24-25H,1-2H2
InChIKeyFELFJYUDAWUFNM-UHFFFAOYSA-N
XLogP2.78
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.78
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]-3-fluorophenol?
The IUPAC name of 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol (CID 142621340) is 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol.
What is the SMILES notation for 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol?
The canonical SMILES for 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol is Oc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c(F)c1.
What is the InChIKey of 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol?
The InChIKey is FELFJYUDAWUFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S/c18-11-5-10(24)3-4-13(11)23-7-12(20-21-23)16(25)15-17(9-1-2-9)26-14-6-19-8-22(14)15/h3-9,16,24-25H,1-2H2.
What are the key properties of 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol?
4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenol has a molecular weight of 371.40 g/mol, XLogP of 2.78, 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]-3-fluorophenol is sourced from PubChem (CID 142621340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).