2-(4-aminophenyl)-1,3-benzothiazol-7-amine

C13H11N3S — CID 141212234

IUPAC2-(4-aminophenyl)-1,3-benzothiazol-7-amine
SMILESNc1ccc(-c2nc3cccc(N)c3s2)cc1
InChIInChI=1S/C13H11N3S/c14-9-6-4-8(5-7-9)13-16-11-3-1-2-10(15)12(11)17-13/h1-7H,14-15H2
InChIKeyPCMGUUXISOMCQS-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.13
Rot. Bonds1

About 2-(4-aminophenyl)-1,3-benzothiazol-7-amine

2-(4-aminophenyl)-1,3-benzothiazol-7-amine (PubChem CID 141212234) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-1,3-benzothiazol-7-amine
PubChem CID141212234
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-(4-aminophenyl)-1,3-benzothiazol-7-amine
SMILESNc1ccc(-c2nc3cccc(N)c3s2)cc1
InChIInChI=1S/C13H11N3S/c14-9-6-4-8(5-7-9)13-16-11-3-1-2-10(15)12(11)17-13/h1-7H,14-15H2
InChIKeyPCMGUUXISOMCQS-UHFFFAOYSA-N
XLogP3.13
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-1,3-benzothiazol-7-amine
CID 82231870
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline
CID 43306332
4-(6-amino-7-iodo-1,3-benzothiazol-2-yl)phenol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;4-(7-methyl-1,3-benzothiazol-2-yl)aniline
CID 142942995
potassium;2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid;azanide
CID 143103567
2-(4-aminophenyl)-1,3-benzothiazol-4-ol
CID 10752678
2-[2-(4-aminophenyl)-1,3-benzothiazol-4-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
CID 101318495
2-[3-(7-chloro-1,3-benzothiazol-2-yl)phenyl]ethanamine
CID 55237049
7-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzothiazole
CID 153310040
5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 107704631
2-(4-aminophenyl)-6-hydroxybenzo[g][1,3]benzothiazole-8-sulfonic acid
CID 57351647
2-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 3147179

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(4-aminophenyl)-1,3-benzothiazol-7-amine (CID 141212234) is 2-(4-aminophenyl)-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(4-aminophenyl)-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(4-aminophenyl)-1,3-benzothiazol-7-amine is Nc1ccc(-c2nc3cccc(N)c3s2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1,3-benzothiazol-7-amine?
The InChIKey is PCMGUUXISOMCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-9-6-4-8(5-7-9)13-16-11-3-1-2-10(15)12(11)17-13/h1-7H,14-15H2.
What are the key properties of 2-(4-aminophenyl)-1,3-benzothiazol-7-amine?
2-(4-aminophenyl)-1,3-benzothiazol-7-amine has a molecular weight of 241.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1,3-benzothiazol-7-amine is sourced from PubChem (CID 141212234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).