4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine

C14H9N3S2 — CID 135218835

IUPAC4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2c(-c3nc4ccccc4s3)cccc2s1
InChIInChI=1S/C14H9N3S2/c15-14-17-12-8(4-3-7-11(12)19-14)13-16-9-5-1-2-6-10(9)18-13/h1-7H,(H2,15,17)
InChIKeyZGIZSYSUQLZSED-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.16
Rot. Bonds1

About 4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine

4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 135218835) has the molecular formula C14H9N3S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID135218835
Molecular FormulaC14H9N3S2
Molecular Weight283.38 g/mol
Exact Mass283.02
IUPAC Name4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2c(-c3nc4ccccc4s3)cccc2s1
InChIInChI=1S/C14H9N3S2/c15-14-17-12-8(4-3-7-11(12)19-14)13-16-9-5-1-2-6-10(9)18-13/h1-7H,(H2,15,17)
InChIKeyZGIZSYSUQLZSED-UHFFFAOYSA-N
XLogP4.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(1,3-benzothiazol-2-yl)phenol
CID 135623123
2-(2-phenylquinolin-8-yl)-1,3-benzothiazole
CID 174612697
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
CID 174888047
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
4-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117472108
bis(1,3-benzothiazol-2-amine);phosphoric acid
CID 175581696
1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
CID 161214850
1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropan-1-amine
CID 117420242
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
3-(1,3-benzothiazol-2-yl)-4-bromoaniline
CID 113281149

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (CID 135218835) is 4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is Nc1nc2c(-c3nc4ccccc4s3)cccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is ZGIZSYSUQLZSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S2/c15-14-17-12-8(4-3-7-11(12)19-14)13-16-9-5-1-2-6-10(9)18-13/h1-7H,(H2,15,17).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 283.38 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 135218835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).