N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide

C19H19N3O2S — CID 118714151

IUPACN-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nsc2ncc(-c3ccc(O)cc3)cc12)C1CCCCC1
InChIInChI=1S/C19H19N3O2S/c23-15-8-6-12(7-9-15)14-10-16-17(22-25-19(16)20-11-14)21-18(24)13-4-2-1-3-5-13/h6-11,13,23H,1-5H2,(H,21,22,24)
InChIKeyJUQADQJTBFYLNV-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.58
Rot. Bonds3

About N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide

N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide (PubChem CID 118714151) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide
PubChem CID118714151
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nsc2ncc(-c3ccc(O)cc3)cc12)C1CCCCC1
InChIInChI=1S/C19H19N3O2S/c23-15-8-6-12(7-9-15)14-10-16-17(22-25-19(16)20-11-14)21-18(24)13-4-2-1-3-5-13/h6-11,13,23H,1-5H2,(H,21,22,24)
InChIKeyJUQADQJTBFYLNV-UHFFFAOYSA-N
XLogP4.58
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide (CID 118714151) is N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide is O=C(Nc1nsc2ncc(-c3ccc(O)cc3)cc12)C1CCCCC1.
What is the InChIKey of N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide?
The InChIKey is JUQADQJTBFYLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-15-8-6-12(7-9-15)14-10-16-17(22-25-19(16)20-11-14)21-18(24)13-4-2-1-3-5-13/h6-11,13,23H,1-5H2,(H,21,22,24).
What are the key properties of N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide?
N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 118714151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).