N-phenyl-1,3-benzothiazol-4-amine

C13H10N2S — CID 123586125

IUPACN-phenyl-1,3-benzothiazol-4-amine
SMILESc1ccc(Nc2cccc3scnc23)cc1
InChIInChI=1S/C13H10N2S/c1-2-5-10(6-3-1)15-11-7-4-8-12-13(11)14-9-16-12/h1-9,15H
InChIKeyCITNDHMEOFWLMP-UHFFFAOYSA-N
MW226.30 g/mol
LogP4.04
Rot. Bonds2

About N-phenyl-1,3-benzothiazol-4-amine

N-phenyl-1,3-benzothiazol-4-amine (PubChem CID 123586125) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-phenyl-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-phenyl-1,3-benzothiazol-4-amine
PubChem CID123586125
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC NameN-phenyl-1,3-benzothiazol-4-amine
SMILESc1ccc(Nc2cccc3scnc23)cc1
InChIInChI=1S/C13H10N2S/c1-2-5-10(6-3-1)15-11-7-4-8-12-13(11)14-9-16-12/h1-9,15H
InChIKeyCITNDHMEOFWLMP-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,3-benzothiazol-4-amine?
The IUPAC name of N-phenyl-1,3-benzothiazol-4-amine (CID 123586125) is N-phenyl-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-phenyl-1,3-benzothiazol-4-amine?
The canonical SMILES for N-phenyl-1,3-benzothiazol-4-amine is c1ccc(Nc2cccc3scnc23)cc1.
What is the InChIKey of N-phenyl-1,3-benzothiazol-4-amine?
The InChIKey is CITNDHMEOFWLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-2-5-10(6-3-1)15-11-7-4-8-12-13(11)14-9-16-12/h1-9,15H.
What are the key properties of N-phenyl-1,3-benzothiazol-4-amine?
N-phenyl-1,3-benzothiazol-4-amine has a molecular weight of 226.30 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,3-benzothiazol-4-amine is sourced from PubChem (CID 123586125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).