6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine

C15H13N5S — CID 656158

IUPAC6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCn1c(-c2ccc3nc(N)sc3c2)nc2cc(N)ccc21
InChIInChI=1S/C15H13N5S/c1-20-12-5-3-9(16)7-11(12)18-14(20)8-2-4-10-13(6-8)21-15(17)19-10/h2-7H,16H2,1H3,(H2,17,19)
InChIKeyPOHLIGPLBOKZHQ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.01
Rot. Bonds1

About 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine

6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 656158) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID656158
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCn1c(-c2ccc3nc(N)sc3c2)nc2cc(N)ccc21
InChIInChI=1S/C15H13N5S/c1-20-12-5-3-9(16)7-11(12)18-14(20)8-2-4-10-13(6-8)21-15(17)19-10/h2-7H,16H2,1H3,(H2,17,19)
InChIKeyPOHLIGPLBOKZHQ-UHFFFAOYSA-N
XLogP3.01
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine (CID 656158) is 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine is Cn1c(-c2ccc3nc(N)sc3c2)nc2cc(N)ccc21.
What is the InChIKey of 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is POHLIGPLBOKZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-20-12-5-3-9(16)7-11(12)18-14(20)8-2-4-10-13(6-8)21-15(17)19-10/h2-7H,16H2,1H3,(H2,17,19).
What are the key properties of 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine?
6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 656158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).