N-naphthalen-2-yl-1,3-benzothiazol-2-amine

C17H12N2S — CID 54164580

IUPACN-naphthalen-2-yl-1,3-benzothiazol-2-amine
SMILESc1ccc2cc(Nc3nc4ccccc4s3)ccc2c1
InChIInChI=1S/C17H12N2S/c1-2-6-13-11-14(10-9-12(13)5-1)18-17-19-15-7-3-4-8-16(15)20-17/h1-11H,(H,18,19)
InChIKeyOQTDKNXAQZVYJX-UHFFFAOYSA-N
MW276.36 g/mol
LogP5.19
Rot. Bonds2

About N-naphthalen-2-yl-1,3-benzothiazol-2-amine

N-naphthalen-2-yl-1,3-benzothiazol-2-amine (PubChem CID 54164580) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-naphthalen-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-1,3-benzothiazol-2-amine
PubChem CID54164580
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC NameN-naphthalen-2-yl-1,3-benzothiazol-2-amine
SMILESc1ccc2cc(Nc3nc4ccccc4s3)ccc2c1
InChIInChI=1S/C17H12N2S/c1-2-6-13-11-14(10-9-12(13)5-1)18-17-19-15-7-3-4-8-16(15)20-17/h1-11H,(H,18,19)
InChIKeyOQTDKNXAQZVYJX-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.36
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of N-naphthalen-2-yl-1,3-benzothiazol-2-amine (CID 54164580) is N-naphthalen-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-naphthalen-2-yl-1,3-benzothiazol-2-amine is c1ccc2cc(Nc3nc4ccccc4s3)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is OQTDKNXAQZVYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c1-2-6-13-11-14(10-9-12(13)5-1)18-17-19-15-7-3-4-8-16(15)20-17/h1-11H,(H,18,19).
What are the key properties of N-naphthalen-2-yl-1,3-benzothiazol-2-amine?
N-naphthalen-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 276.36 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 54164580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).