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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Related Compounds

2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
CID 53306902
2-benzylsulfanyl-1,3-benzothiazol-6-ol
CID 14749857
4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole
CID 51064856
2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine
CID 117097310
3-benzylsulfanyl-5-methylpyridine
CID 58349834
2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253
2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine
CID 15143169
2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole
CID 11021483
N-benzyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2113200
2-[(4-butan-2-ylphenyl)methylsulfanyl]-1,3-benzothiazole
CID 59651448
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
6-methyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine
CID 76850367

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).