5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine

C10H9FN4S — CID 4144510

IUPAC5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1/N=N/c1ccc(F)cc1
InChIInChI=1S/C10H9FN4S/c1-6-9(16-10(12)13-6)15-14-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13)/b15-14+
InChIKeyPLBNVKTUTHWYFA-CCEZHUSRSA-N
MW236.28 g/mol
LogP3.59
Rot. Bonds2

About 5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine

5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 4144510) has the molecular formula C10H9FN4S and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID4144510
Molecular FormulaC10H9FN4S
Molecular Weight236.28 g/mol
Exact Mass236.05
IUPAC Name5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1/N=N/c1ccc(F)cc1
InChIInChI=1S/C10H9FN4S/c1-6-9(16-10(12)13-6)15-14-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13)/b15-14+
InChIKeyPLBNVKTUTHWYFA-CCEZHUSRSA-N
XLogP3.59
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.59
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-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine (CID 4144510) is 5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1/N=N/c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is PLBNVKTUTHWYFA-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H9FN4S/c1-6-9(16-10(12)13-6)15-14-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13)/b15-14+.
What are the key properties of 5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine?
5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 236.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 4144510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).