[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C4H4N4S — CID 84648505

IUPAC[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESNc1nc2sccn2n1
InChIInChI=1S/C4H4N4S/c5-3-6-4-8(7-3)1-2-9-4/h1-2H,(H2,5,7)
InChIKeyOOBHSANEVDQOHM-UHFFFAOYSA-N
MW140.17 g/mol
LogP0.37
Rot. Bonds

About [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 84648505) has the molecular formula C4H4N4S and a molecular weight of 140.17 g/mol. Its IUPAC name is [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID84648505
Molecular FormulaC4H4N4S
Molecular Weight140.17 g/mol
Exact Mass140.02
IUPAC Name[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESNc1nc2sccn2n1
InChIInChI=1S/C4H4N4S/c5-3-6-4-8(7-3)1-2-9-4/h1-2H,(H2,5,7)
InChIKeyOOBHSANEVDQOHM-UHFFFAOYSA-N
XLogP0.37
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70833462
CID 70833462
CID 13755997
CID 13755997
CID 21780996
CID 21780996
CID 82467760
CID 82467760
CID 13755998
CID 13755998
CID 138376778
CID 138376778
CID 69032394
CID 69032394
CID 14929653
CID 14929653
CID 21999797
CID 21999797
CID 82879743
CID 82879743
CID 129766434
CID 129766434
CID 129821037
CID 129821037

Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 84648505) is [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is Nc1nc2sccn2n1.
What is the InChIKey of [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is OOBHSANEVDQOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4S/c5-3-6-4-8(7-3)1-2-9-4/h1-2H,(H2,5,7).
What are the key properties of [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 140.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 84648505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).