2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine

C14H12N2S2 — CID 76850378

IUPAC2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(SCc3ccccc3)sc2c1
InChIInChI=1S/C14H12N2S2/c1-10-7-12-13(15-8-10)16-14(18-12)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyNLWNTKDFSQQUKQ-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.29
Rot. Bonds3

About 2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine

2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850378) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850378
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cnc2nc(SCc3ccccc3)sc2c1
InChIInChI=1S/C14H12N2S2/c1-10-7-12-13(15-8-10)16-14(18-12)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyNLWNTKDFSQQUKQ-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 76850378) is 2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine is Cc1cnc2nc(SCc3ccccc3)sc2c1.
What is the InChIKey of 2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is NLWNTKDFSQQUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2/c1-10-7-12-13(15-8-10)16-14(18-12)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine?
2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 272.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).