N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine

C6H4IN3S — CID 145315446

IUPACN-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine
SMILESINc1nsc2ncccc12
InChIInChI=1S/C6H4IN3S/c7-9-5-4-2-1-3-8-6(4)11-10-5/h1-3H,(H,9,10)
InChIKeyJVAWMNCWGBPEHV-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.45
Rot. Bonds1

About N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine

N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine (PubChem CID 145315446) has the molecular formula C6H4IN3S and a molecular weight of 277.09 g/mol. Its IUPAC name is N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine
PubChem CID145315446
Molecular FormulaC6H4IN3S
Molecular Weight277.09 g/mol
Exact Mass276.92
IUPAC NameN-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine
SMILESINc1nsc2ncccc12
InChIInChI=1S/C6H4IN3S/c7-9-5-4-2-1-3-8-6(4)11-10-5/h1-3H,(H,9,10)
InChIKeyJVAWMNCWGBPEHV-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine (CID 145315446) is N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine is INc1nsc2ncccc12.
What is the InChIKey of N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The InChIKey is JVAWMNCWGBPEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3S/c7-9-5-4-2-1-3-8-6(4)11-10-5/h1-3H,(H,9,10).
What are the key properties of N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine?
N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine has a molecular weight of 277.09 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-[1,2]thiazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 145315446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).