2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine

C13H10N2S2 — CID 53306902

IUPAC2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
SMILESc1ccc(CSc2nc3ncccc3s2)cc1
InChIInChI=1S/C13H10N2S2/c1-2-5-10(6-3-1)9-16-13-15-12-11(17-13)7-4-8-14-12/h1-8H,9H2
InChIKeyZLBKYOWUZICHFW-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.98
Rot. Bonds3

About 2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine

2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 53306902) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID53306902
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
SMILESc1ccc(CSc2nc3ncccc3s2)cc1
InChIInChI=1S/C13H10N2S2/c1-2-5-10(6-3-1)9-16-13-15-12-11(17-13)7-4-8-14-12/h1-8H,9H2
InChIKeyZLBKYOWUZICHFW-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 76850378
2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine
CID 22385774
2-benzylsulfanyl-1,3-benzothiazol-6-ol
CID 14749857
2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole
CID 11021483
2-[(4-butan-2-ylphenyl)methylsulfanyl]-1,3-benzothiazole
CID 59651448
2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine
CID 15143169
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 46402929
2-chloro-[1,3]thiazolo[4,5-b]pyridine
CID 51358428
2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine
CID 117097310
(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80693138
2-chloro-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
CID 57482765
2-(4-ethylphenoxy)-[1,3]thiazolo[4,5-b]pyridine
CID 123160790

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine (CID 53306902) is 2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine is c1ccc(CSc2nc3ncccc3s2)cc1.
What is the InChIKey of 2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is ZLBKYOWUZICHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c1-2-5-10(6-3-1)9-16-13-15-12-11(17-13)7-4-8-14-12/h1-8H,9H2.
What are the key properties of 2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine?
2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 258.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 53306902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).