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

C7H9ClN4S2 — CID 126477214

IUPAC5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(N)sc1-c1csc(N)n1.Cl
InChIInChI=1S/C7H8N4S2.ClH/c1-3-5(13-7(9)10-3)4-2-12-6(8)11-4;/h2H,1H3,(H2,8,11)(H2,9,10);1H
InChIKeyHQZZKXVYCKULQM-UHFFFAOYSA-N
MW248.76 g/mol
LogP2.16
Rot. Bonds1

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

5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 126477214) has the molecular formula C7H9ClN4S2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID126477214
Molecular FormulaC7H9ClN4S2
Molecular Weight248.76 g/mol
Exact Mass248.00
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(N)sc1-c1csc(N)n1.Cl
InChIInChI=1S/C7H8N4S2.ClH/c1-3-5(13-7(9)10-3)4-2-12-6(8)11-4;/h2H,1H3,(H2,8,11)(H2,9,10);1H
InChIKeyHQZZKXVYCKULQM-UHFFFAOYSA-N
XLogP2.16
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 52.16
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;hydrochloride?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride (CID 126477214) is 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride is Cc1nc(N)sc1-c1csc(N)n1.Cl.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is HQZZKXVYCKULQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2.ClH/c1-3-5(13-7(9)10-3)4-2-12-6(8)11-4;/h2H,1H3,(H2,8,11)(H2,9,10);1H.
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride?
5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 248.76 g/mol, XLogP of 2.16, 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;hydrochloride is sourced from PubChem (CID 126477214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).