5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine

C5H6N6O2S2 — CID 54235974

IUPAC5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine
SMILESNc1n[nH]c(S(=O)(=O)c2cnc(N)s2)n1
InChIInChI=1S/C5H6N6O2S2/c6-3-9-5(11-10-3)15(12,13)2-1-8-4(7)14-2/h1H,(H2,7,8)(H3,6,9,10,11)
InChIKeyQMPBZKANKZGMOI-UHFFFAOYSA-N
MW246.28 g/mol
LogP-0.74
Rot. Bonds2

About 5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine

5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine (PubChem CID 54235974) has the molecular formula C5H6N6O2S2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine
PubChem CID54235974
Molecular FormulaC5H6N6O2S2
Molecular Weight246.28 g/mol
Exact Mass246.00
IUPAC Name5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine
SMILESNc1n[nH]c(S(=O)(=O)c2cnc(N)s2)n1
InChIInChI=1S/C5H6N6O2S2/c6-3-9-5(11-10-3)15(12,13)2-1-8-4(7)14-2/h1H,(H2,7,8)(H3,6,9,10,11)
InChIKeyQMPBZKANKZGMOI-UHFFFAOYSA-N
XLogP-0.74
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine (CID 54235974) is 5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine is Nc1n[nH]c(S(=O)(=O)c2cnc(N)s2)n1.
What is the InChIKey of 5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine?
The InChIKey is QMPBZKANKZGMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O2S2/c6-3-9-5(11-10-3)15(12,13)2-1-8-4(7)14-2/h1H,(H2,7,8)(H3,6,9,10,11).
What are the key properties of 5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine?
5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine has a molecular weight of 246.28 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54235974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).