2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine

C6H7N3S — CID 66749953

IUPAC2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine
SMILESNC1=CC=CN2SNC=C12
InChIInChI=1S/C6H7N3S/c7-5-2-1-3-9-6(5)4-8-10-9/h1-4,8H,7H2
InChIKeyQVPNXHGKVUPALO-UHFFFAOYSA-N
MW153.21 g/mol
LogP0.67
Rot. Bonds

About 2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine

2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine (PubChem CID 66749953) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is 2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine.

Molecular Properties

Compound Name2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine
PubChem CID66749953
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Name2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine
SMILESNC1=CC=CN2SNC=C12
InChIInChI=1S/C6H7N3S/c7-5-2-1-3-9-6(5)4-8-10-9/h1-4,8H,7H2
InChIKeyQVPNXHGKVUPALO-UHFFFAOYSA-N
XLogP0.67
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine?
The IUPAC name of 2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine (CID 66749953) is 2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine.
What is the SMILES notation for 2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine?
The canonical SMILES for 2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine is NC1=CC=CN2SNC=C12.
What is the InChIKey of 2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine?
The InChIKey is QVPNXHGKVUPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c7-5-2-1-3-9-6(5)4-8-10-9/h1-4,8H,7H2.
What are the key properties of 2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine?
2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine has a molecular weight of 153.21 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-amine is sourced from PubChem (CID 66749953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).