N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide

C15H15N3O2S2 — CID 5310341

IUPACN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C
InChIInChI=1S/C15H15N3O2S2/c1-3-22(19,20)18-13-9-11(7-6-10(13)2)14-17-12-5-4-8-16-15(12)21-14/h4-9,18H,3H2,1-2H3
InChIKeyFUQNNFOLBVVFIR-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.43
Rot. Bonds4

About N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide

N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide (PubChem CID 5310341) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide
PubChem CID5310341
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C
InChIInChI=1S/C15H15N3O2S2/c1-3-22(19,20)18-13-9-11(7-6-10(13)2)14-17-12-5-4-8-16-15(12)21-14/h4-9,18H,3H2,1-2H3
InChIKeyFUQNNFOLBVVFIR-UHFFFAOYSA-N
XLogP3.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide (CID 5310341) is N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C.
What is the InChIKey of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide?
The InChIKey is FUQNNFOLBVVFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-3-22(19,20)18-13-9-11(7-6-10(13)2)14-17-12-5-4-8-16-15(12)21-14/h4-9,18H,3H2,1-2H3.
What are the key properties of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide?
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide has a molecular weight of 333.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 5310341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).