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

C18H14F3N5O3S — CID 142621270

IUPAC4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol
SMILESOc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1OC(F)(F)F
InChIInChI=1S/C18H14F3N5O3S/c19-18(20,21)29-13-5-10(3-4-12(13)27)26-7-11(23-24-26)16(28)15-17(9-1-2-9)30-14-6-22-8-25(14)15/h3-9,16,27-28H,1-2H2
InChIKeyOYJKWXRBGKTZLW-UHFFFAOYSA-N
MW437.40 g/mol
LogP3.54
Rot. Bonds5

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

4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol (PubChem CID 142621270) has the molecular formula C18H14F3N5O3S and a molecular weight of 437.40 g/mol. Its IUPAC name is 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol
PubChem CID142621270
Molecular FormulaC18H14F3N5O3S
Molecular Weight437.40 g/mol
Exact Mass437.08
IUPAC Name4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol
SMILESOc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1OC(F)(F)F
InChIInChI=1S/C18H14F3N5O3S/c19-18(20,21)29-13-5-10(3-4-12(13)27)26-7-11(23-24-26)16(28)15-17(9-1-2-9)30-14-6-22-8-25(14)15/h3-9,16,27-28H,1-2H2
InChIKeyOYJKWXRBGKTZLW-UHFFFAOYSA-N
XLogP3.54
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-(trifluoromethoxy)phenol?
The IUPAC name of 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol (CID 142621270) is 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol?
The canonical SMILES for 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol is Oc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1OC(F)(F)F.
What is the InChIKey of 4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol?
The InChIKey is OYJKWXRBGKTZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O3S/c19-18(20,21)29-13-5-10(3-4-12(13)27)26-7-11(23-24-26)16(28)15-17(9-1-2-9)30-14-6-22-8-25(14)15/h3-9,16,27-28H,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-(trifluoromethoxy)phenol?
4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-2-(trifluoromethoxy)phenol has a molecular weight of 437.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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-(trifluoromethoxy)phenol is sourced from PubChem (CID 142621270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).