2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol

C18H14BrClFN5O2S — CID 59377128

IUPAC2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol
SMILESNC(CO)COc1cc(Cl)c(-c2nnc(-c3cn4cc(Br)ccc4n3)s2)cc1F
InChIInChI=1S/C18H14BrClFN5O2S/c19-9-1-2-16-23-14(6-26(16)5-9)18-25-24-17(29-18)11-3-13(21)15(4-12(11)20)28-8-10(22)7-27/h1-6,10,27H,7-8,22H2
InChIKeyFJUBXRHLYFEHPD-UHFFFAOYSA-N
MW498.77 g/mol
LogP3.77
Rot. Bonds6

About 2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol

2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol (PubChem CID 59377128) has the molecular formula C18H14BrClFN5O2S and a molecular weight of 498.77 g/mol. Its IUPAC name is 2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol
PubChem CID59377128
Molecular FormulaC18H14BrClFN5O2S
Molecular Weight498.77 g/mol
Exact Mass496.97
IUPAC Name2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol
SMILESNC(CO)COc1cc(Cl)c(-c2nnc(-c3cn4cc(Br)ccc4n3)s2)cc1F
InChIInChI=1S/C18H14BrClFN5O2S/c19-9-1-2-16-23-14(6-26(16)5-9)18-25-24-17(29-18)11-3-13(21)15(4-12(11)20)28-8-10(22)7-27/h1-6,10,27H,7-8,22H2
InChIKeyFJUBXRHLYFEHPD-UHFFFAOYSA-N
XLogP3.77
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.77
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol?
The IUPAC name of 2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol (CID 59377128) is 2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol.
What is the SMILES notation for 2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol?
The canonical SMILES for 2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol is NC(CO)COc1cc(Cl)c(-c2nnc(-c3cn4cc(Br)ccc4n3)s2)cc1F.
What is the InChIKey of 2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol?
The InChIKey is FJUBXRHLYFEHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClFN5O2S/c19-9-1-2-16-23-14(6-26(16)5-9)18-25-24-17(29-18)11-3-13(21)15(4-12(11)20)28-8-10(22)7-27/h1-6,10,27H,7-8,22H2.
What are the key properties of 2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol?
2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol has a molecular weight of 498.77 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[5-(6-bromoimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-fluorophenoxy]propan-1-ol is sourced from PubChem (CID 59377128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).