pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol

C18H14N4OS — CID 163664826

IUPACpyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol
SMILESOC(Nc1cccc(-c2nc3ccncc3s2)c1)c1cccnc1
InChIInChI=1S/C18H14N4OS/c23-17(13-4-2-7-19-10-13)21-14-5-1-3-12(9-14)18-22-15-6-8-20-11-16(15)24-18/h1-11,17,21,23H
InChIKeyIXLQGSSRDXIEIM-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.86
Rot. Bonds4

About pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol

pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol (PubChem CID 163664826) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol.

Molecular Properties

Compound Namepyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol
PubChem CID163664826
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Namepyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol
SMILESOC(Nc1cccc(-c2nc3ccncc3s2)c1)c1cccnc1
InChIInChI=1S/C18H14N4OS/c23-17(13-4-2-7-19-10-13)21-14-5-1-3-12(9-14)18-22-15-6-8-20-11-16(15)24-18/h1-11,17,21,23H
InChIKeyIXLQGSSRDXIEIM-UHFFFAOYSA-N
XLogP3.86
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol?
The IUPAC name of pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol (CID 163664826) is pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol.
What is the SMILES notation for pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol?
The canonical SMILES for pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol is OC(Nc1cccc(-c2nc3ccncc3s2)c1)c1cccnc1.
What is the InChIKey of pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol?
The InChIKey is IXLQGSSRDXIEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-17(13-4-2-7-19-10-13)21-14-5-1-3-12(9-14)18-22-15-6-8-20-11-16(15)24-18/h1-11,17,21,23H.
What are the key properties of pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol?
pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol has a molecular weight of 334.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)anilino]methanol is sourced from PubChem (CID 163664826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).