6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine

C18H12N4S — CID 17336802

IUPAC6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2s1
InChIInChI=1S/C18H12N4S/c19-18-22-13-6-5-12(9-16(13)23-18)17-20-14-7-10-3-1-2-4-11(10)8-15(14)21-17/h1-9H,(H2,19,22)(H,20,21)
InChIKeyCDZLBPUVXYSARS-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.57
Rot. Bonds1

About 6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine

6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 17336802) has the molecular formula C18H12N4S and a molecular weight of 316.39 g/mol. Its IUPAC name is 6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID17336802
Molecular FormulaC18H12N4S
Molecular Weight316.39 g/mol
Exact Mass316.08
IUPAC Name6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2s1
InChIInChI=1S/C18H12N4S/c19-18-22-13-6-5-12(9-16(13)23-18)17-20-14-7-10-3-1-2-4-11(10)8-15(14)21-17/h1-9H,(H2,19,22)(H,20,21)
InChIKeyCDZLBPUVXYSARS-UHFFFAOYSA-N
XLogP4.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine
CID 82005407
2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one
CID 168552705
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
CID 171981650
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine
CID 174825755
4-(1H-benzo[f]benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 136934863
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine (CID 17336802) is 6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2s1.
What is the InChIKey of 6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is CDZLBPUVXYSARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S/c19-18-22-13-6-5-12(9-16(13)23-18)17-20-14-7-10-3-1-2-4-11(10)8-15(14)21-17/h1-9H,(H2,19,22)(H,20,21).
What are the key properties of 6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine?
6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 316.39 g/mol, XLogP of 4.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 17336802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).