4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine

C15H11N5S — CID 709394

IUPAC4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine
SMILESNc1n/c(=N\c2ccccc2)n2c(n1)sc1ccccc12
InChIInChI=1S/C15H11N5S/c16-13-18-14(17-10-6-2-1-3-7-10)20-11-8-4-5-9-12(11)21-15(20)19-13/h1-9H,(H2,16,17,18)
InChIKeyRNMGGUBWJPTGAZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.76
Rot. Bonds1

About 4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine

4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine (PubChem CID 709394) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine
PubChem CID709394
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine
SMILESNc1n/c(=N\c2ccccc2)n2c(n1)sc1ccccc12
InChIInChI=1S/C15H11N5S/c16-13-18-14(17-10-6-2-1-3-7-10)20-11-8-4-5-9-12(11)21-15(20)19-13/h1-9H,(H2,16,17,18)
InChIKeyRNMGGUBWJPTGAZ-UHFFFAOYSA-N
XLogP2.76
TPSA68.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine?
The IUPAC name of 4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine (CID 709394) is 4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine.
What is the SMILES notation for 4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine?
The canonical SMILES for 4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine is Nc1n/c(=N\c2ccccc2)n2c(n1)sc1ccccc12.
What is the InChIKey of 4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine?
The InChIKey is RNMGGUBWJPTGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c16-13-18-14(17-10-6-2-1-3-7-10)20-11-8-4-5-9-12(11)21-15(20)19-13/h1-9H,(H2,16,17,18).
What are the key properties of 4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine?
4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine has a molecular weight of 293.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylimino-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine is sourced from PubChem (CID 709394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).