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

C7H6N2S2 — CID 699840

IUPAC2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCSc1nc2cccnc2s1
InChIInChI=1S/C7H6N2S2/c1-10-7-9-5-3-2-4-8-6(5)11-7/h2-4H,1H3
InChIKeyTVFORTZHGPWPAE-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.41
Rot. Bonds1

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

2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 699840) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID699840
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCSc1nc2cccnc2s1
InChIInChI=1S/C7H6N2S2/c1-10-7-9-5-3-2-4-8-6(5)11-7/h2-4H,1H3
InChIKeyTVFORTZHGPWPAE-UHFFFAOYSA-N
XLogP2.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine (CID 699840) is 2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine is CSc1nc2cccnc2s1.
What is the InChIKey of 2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is TVFORTZHGPWPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c1-10-7-9-5-3-2-4-8-6(5)11-7/h2-4H,1H3.
What are the key properties of 2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine?
2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 182.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 699840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).