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

C14H9N3S2 — CID 894184

IUPACN-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(Nc3nc4ccccc4s3)nc2c1
InChIInChI=1S/C14H9N3S2/c1-3-7-11-9(5-1)15-13(18-11)17-14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,16,17)
InChIKeyBAKKCCVQOIFVKD-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.65
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 894184) has the molecular formula C14H9N3S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID894184
Molecular FormulaC14H9N3S2
Molecular Weight283.38 g/mol
Exact Mass283.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(Nc3nc4ccccc4s3)nc2c1
InChIInChI=1S/C14H9N3S2/c1-3-7-11-9(5-1)15-13(18-11)17-14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,16,17)
InChIKeyBAKKCCVQOIFVKD-UHFFFAOYSA-N
XLogP4.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (CID 894184) is N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is c1ccc2sc(Nc3nc4ccccc4s3)nc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is BAKKCCVQOIFVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S2/c1-3-7-11-9(5-1)15-13(18-11)17-14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,16,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 283.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 894184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).