4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine

C6H6N2S — CID 163517288

IUPAC4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine
SMILESC1=Cc2scnc2NC1
InChIInChI=1S/C6H6N2S/c1-2-5-6(7-3-1)8-4-9-5/h1-2,4,7H,3H2
InChIKeyDHUYSFFJSMLKRO-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.58
Rot. Bonds

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

4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 163517288) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine
PubChem CID163517288
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine
SMILESC1=Cc2scnc2NC1
InChIInChI=1S/C6H6N2S/c1-2-5-6(7-3-1)8-4-9-5/h1-2,4,7H,3H2
InChIKeyDHUYSFFJSMLKRO-UHFFFAOYSA-N
XLogP1.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine (CID 163517288) is 4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine is C1=Cc2scnc2NC1.
What is the InChIKey of 4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is DHUYSFFJSMLKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c1-2-5-6(7-3-1)8-4-9-5/h1-2,4,7H,3H2.
What are the key properties of 4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine?
4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 138.19 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 163517288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).