3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide

C11H14N4O2S — CID 80518836

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(Cc2nc3ncccc3[nH]2)C1
InChIInChI=1S/C11H14N4O2S/c16-18(17)5-4-12-8(7-18)6-10-14-9-2-1-3-13-11(9)15-10/h1-3,8,12H,4-7H2,(H,13,14,15)
InChIKeyNPGNYYXNMDBKGS-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.11
Rot. Bonds2

About 3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide

3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 80518836) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID80518836
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(Cc2nc3ncccc3[nH]2)C1
InChIInChI=1S/C11H14N4O2S/c16-18(17)5-4-12-8(7-18)6-10-14-9-2-1-3-13-11(9)15-10/h1-3,8,12H,4-7H2,(H,13,14,15)
InChIKeyNPGNYYXNMDBKGS-UHFFFAOYSA-N
XLogP-0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide (CID 80518836) is 3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNC(Cc2nc3ncccc3[nH]2)C1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is NPGNYYXNMDBKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c16-18(17)5-4-12-8(7-18)6-10-14-9-2-1-3-13-11(9)15-10/h1-3,8,12H,4-7H2,(H,13,14,15).
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide?
3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 266.33 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 80518836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).