2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine

C9H12N4S — CID 83834257

IUPAC2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc2scnc2n1
InChIInChI=1S/C9H12N4S/c1-6(4-10)12-8-3-2-7-9(13-8)11-5-14-7/h2-3,5-6H,4,10H2,1H3,(H,12,13)
InChIKeyFBOHQQSWNIQPHF-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.45
Rot. Bonds3

About 2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine

2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine (PubChem CID 83834257) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine
PubChem CID83834257
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc2scnc2n1
InChIInChI=1S/C9H12N4S/c1-6(4-10)12-8-3-2-7-9(13-8)11-5-14-7/h2-3,5-6H,4,10H2,1H3,(H,12,13)
InChIKeyFBOHQQSWNIQPHF-UHFFFAOYSA-N
XLogP1.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine?
The IUPAC name of 2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine (CID 83834257) is 2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine is CC(CN)Nc1ccc2scnc2n1.
What is the InChIKey of 2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine?
The InChIKey is FBOHQQSWNIQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6(4-10)12-8-3-2-7-9(13-8)11-5-14-7/h2-3,5-6H,4,10H2,1H3,(H,12,13).
What are the key properties of 2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine?
2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine has a molecular weight of 208.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-([1,3]thiazolo[4,5-b]pyridin-5-yl)propane-1,2-diamine is sourced from PubChem (CID 83834257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).