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

C13H12N4S2 — CID 2866410

IUPAC5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(Nc2ccccc2)n1
InChIInChI=1S/C13H12N4S2/c1-8-11(19-12(14)15-8)10-7-18-13(17-10)16-9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyZVXHXOUWEKSRTE-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.90
Rot. Bonds3

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

5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 2866410) has the molecular formula C13H12N4S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID2866410
Molecular FormulaC13H12N4S2
Molecular Weight288.40 g/mol
Exact Mass288.05
IUPAC Name5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(Nc2ccccc2)n1
InChIInChI=1S/C13H12N4S2/c1-8-11(19-12(14)15-8)10-7-18-13(17-10)16-9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyZVXHXOUWEKSRTE-UHFFFAOYSA-N
XLogP3.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.90
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-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine (CID 2866410) is 5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1csc(Nc2ccccc2)n1.
What is the InChIKey of 5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ZVXHXOUWEKSRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S2/c1-8-11(19-12(14)15-8)10-7-18-13(17-10)16-9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine?
5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 288.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2866410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).