3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine

C6H6N2S — CID 67718748

IUPAC3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine
SMILESC1=CC2N=CSC2N=C1
InChIInChI=1S/C6H6N2S/c1-2-5-6(7-3-1)9-4-8-5/h1-6H
InChIKeySLCIDRULJVYBDY-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.10
Rot. Bonds

About 3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine

3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 67718748) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine
PubChem CID67718748
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine
SMILESC1=CC2N=CSC2N=C1
InChIInChI=1S/C6H6N2S/c1-2-5-6(7-3-1)9-4-8-5/h1-6H
InChIKeySLCIDRULJVYBDY-UHFFFAOYSA-N
XLogP1.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine (CID 67718748) is 3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine is C1=CC2N=CSC2N=C1.
What is the InChIKey of 3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is SLCIDRULJVYBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c1-2-5-6(7-3-1)9-4-8-5/h1-6H.
What are the key properties of 3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine?
3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 138.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 67718748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).