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

C9H12N4S — CID 58727204

IUPACN'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine
SMILESNCCCNc1nsc2ncccc12
InChIInChI=1S/C9H12N4S/c10-4-2-6-11-8-7-3-1-5-12-9(7)14-13-8/h1,3,5H,2,4,6,10H2,(H,11,13)
InChIKeyRFLCOMBAFPANOU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.45
Rot. Bonds4

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

N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine (PubChem CID 58727204) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine
PubChem CID58727204
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine
SMILESNCCCNc1nsc2ncccc12
InChIInChI=1S/C9H12N4S/c10-4-2-6-11-8-7-3-1-5-12-9(7)14-13-8/h1,3,5H,2,4,6,10H2,(H,11,13)
InChIKeyRFLCOMBAFPANOU-UHFFFAOYSA-N
XLogP1.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine?
The IUPAC name of N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine (CID 58727204) is N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine is NCCCNc1nsc2ncccc12.
What is the InChIKey of N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine?
The InChIKey is RFLCOMBAFPANOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c10-4-2-6-11-8-7-3-1-5-12-9(7)14-13-8/h1,3,5H,2,4,6,10H2,(H,11,13).
What are the key properties of N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine?
N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine has a molecular weight of 208.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-([1,2]thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 58727204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).