5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine

C10H10N4S — CID 5177596

IUPAC5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine
SMILESCc1cccc(/N=N/c2cnc(N)s2)c1
InChIInChI=1S/C10H10N4S/c1-7-3-2-4-8(5-7)13-14-9-6-12-10(11)15-9/h2-6H,1H3,(H2,11,12)/b14-13+
InChIKeyULNIXBAKBYRJCA-BUHFOSPRSA-N
MW218.28 g/mol
LogP3.45
Rot. Bonds2

About 5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine

5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine (PubChem CID 5177596) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine
PubChem CID5177596
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine
SMILESCc1cccc(/N=N/c2cnc(N)s2)c1
InChIInChI=1S/C10H10N4S/c1-7-3-2-4-8(5-7)13-14-9-6-12-10(11)15-9/h2-6H,1H3,(H2,11,12)/b14-13+
InChIKeyULNIXBAKBYRJCA-BUHFOSPRSA-N
XLogP3.45
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine (CID 5177596) is 5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine is Cc1cccc(/N=N/c2cnc(N)s2)c1.
What is the InChIKey of 5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine?
The InChIKey is ULNIXBAKBYRJCA-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H10N4S/c1-7-3-2-4-8(5-7)13-14-9-6-12-10(11)15-9/h2-6H,1H3,(H2,11,12)/b14-13+.
What are the key properties of 5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine?
5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine has a molecular weight of 218.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)diazenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 5177596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).