4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine

C10H10N4S — CID 3116940

IUPAC4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1/N=N/c1ccccc1
InChIInChI=1S/C10H10N4S/c1-7-9(15-10(11)12-7)14-13-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)/b14-13+
InChIKeyUOFQZLLVFNMLIN-BUHFOSPRSA-N
MW218.28 g/mol
LogP3.45
Rot. Bonds2

About 4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine

4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine (PubChem CID 3116940) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine
PubChem CID3116940
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1/N=N/c1ccccc1
InChIInChI=1S/C10H10N4S/c1-7-9(15-10(11)12-7)14-13-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)/b14-13+
InChIKeyUOFQZLLVFNMLIN-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 4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine (CID 3116940) is 4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine is Cc1nc(N)sc1/N=N/c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine?
The InChIKey is UOFQZLLVFNMLIN-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H10N4S/c1-7-9(15-10(11)12-7)14-13-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)/b14-13+.
What are the key properties of 4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine?
4-methyl-5-phenyldiazenyl-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 4-methyl-5-phenyldiazenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3116940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).