5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine

C7H8N4S2 — CID 3104402

IUPAC5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(N)n1
InChIInChI=1S/C7H8N4S2/c1-3-5(13-7(9)10-3)4-2-12-6(8)11-4/h2H,1H3,(H2,8,11)(H2,9,10)
InChIKeyZHOXUJNGYDQBHR-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.74
Rot. Bonds1

About 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine

5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 3104402) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID3104402
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(N)n1
InChIInChI=1S/C7H8N4S2/c1-3-5(13-7(9)10-3)4-2-12-6(8)11-4/h2H,1H3,(H2,8,11)(H2,9,10)
InChIKeyZHOXUJNGYDQBHR-UHFFFAOYSA-N
XLogP1.74
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine (CID 3104402) is 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1csc(N)n1.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ZHOXUJNGYDQBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-3-5(13-7(9)10-3)4-2-12-6(8)11-4/h2H,1H3,(H2,8,11)(H2,9,10).
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 212.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3104402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).