N-benzyl-2,1-benzothiazol-3-amine

C14H12N2S — CID 62816902

IUPACN-benzyl-2,1-benzothiazol-3-amine
SMILESc1ccc(CNc2snc3ccccc23)cc1
InChIInChI=1S/C14H12N2S/c1-2-6-11(7-3-1)10-15-14-12-8-4-5-9-13(12)16-17-14/h1-9,15H,10H2
InChIKeyQNSCPEMCRJSTJR-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.91
Rot. Bonds3

About N-benzyl-2,1-benzothiazol-3-amine

N-benzyl-2,1-benzothiazol-3-amine (PubChem CID 62816902) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-benzyl-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-benzyl-2,1-benzothiazol-3-amine
PubChem CID62816902
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC NameN-benzyl-2,1-benzothiazol-3-amine
SMILESc1ccc(CNc2snc3ccccc23)cc1
InChIInChI=1S/C14H12N2S/c1-2-6-11(7-3-1)10-15-14-12-8-4-5-9-13(12)16-17-14/h1-9,15H,10H2
InChIKeyQNSCPEMCRJSTJR-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,1-benzothiazol-3-amine?
The IUPAC name of N-benzyl-2,1-benzothiazol-3-amine (CID 62816902) is N-benzyl-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-benzyl-2,1-benzothiazol-3-amine?
The canonical SMILES for N-benzyl-2,1-benzothiazol-3-amine is c1ccc(CNc2snc3ccccc23)cc1.
What is the InChIKey of N-benzyl-2,1-benzothiazol-3-amine?
The InChIKey is QNSCPEMCRJSTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-6-11(7-3-1)10-15-14-12-8-4-5-9-13(12)16-17-14/h1-9,15H,10H2.
What are the key properties of N-benzyl-2,1-benzothiazol-3-amine?
N-benzyl-2,1-benzothiazol-3-amine has a molecular weight of 240.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,1-benzothiazol-3-amine is sourced from PubChem (CID 62816902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).