2-(4-aminophenyl)-1,3-benzothiazol-4-ol

C13H10N2OS — CID 10752678

IUPAC2-(4-aminophenyl)-1,3-benzothiazol-4-ol
SMILESNc1ccc(-c2nc3c(O)cccc3s2)cc1
InChIInChI=1S/C13H10N2OS/c14-9-6-4-8(5-7-9)13-15-12-10(16)2-1-3-11(12)17-13/h1-7,16H,14H2
InChIKeyGNXBPJNFPMYQLZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.25
Rot. Bonds1

About 2-(4-aminophenyl)-1,3-benzothiazol-4-ol

2-(4-aminophenyl)-1,3-benzothiazol-4-ol (PubChem CID 10752678) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(4-aminophenyl)-1,3-benzothiazol-4-ol
PubChem CID10752678
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-(4-aminophenyl)-1,3-benzothiazol-4-ol
SMILESNc1ccc(-c2nc3c(O)cccc3s2)cc1
InChIInChI=1S/C13H10N2OS/c14-9-6-4-8(5-7-9)13-15-12-10(16)2-1-3-11(12)17-13/h1-7,16H,14H2
InChIKeyGNXBPJNFPMYQLZ-UHFFFAOYSA-N
XLogP3.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.25
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-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol
CID 10824205
4-amino-2-phenyl-1,3-benzothiazol-5-ol
CID 54396314
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-bromo-1,3-benzothiazol-4-ol
CID 73012532
2-[2-(4-aminophenyl)-1,3-benzothiazol-4-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
CID 101318495
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781
4-chloro-2-(4-phenylphenyl)-1,3-benzothiazole
CID 50850199
4-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)aniline
CID 84645770
4-chloro-2-(4-iodophenyl)-1,3-benzothiazole
CID 95910617
2-(4-aminophenyl)-1,3-benzothiazol-7-amine
CID 141212234
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine
CID 129095754

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(4-aminophenyl)-1,3-benzothiazol-4-ol (CID 10752678) is 2-(4-aminophenyl)-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(4-aminophenyl)-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(4-aminophenyl)-1,3-benzothiazol-4-ol is Nc1ccc(-c2nc3c(O)cccc3s2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1,3-benzothiazol-4-ol?
The InChIKey is GNXBPJNFPMYQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-9-6-4-8(5-7-9)13-15-12-10(16)2-1-3-11(12)17-13/h1-7,16H,14H2.
What are the key properties of 2-(4-aminophenyl)-1,3-benzothiazol-4-ol?
2-(4-aminophenyl)-1,3-benzothiazol-4-ol has a molecular weight of 242.30 g/mol, XLogP of 3.25, 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-4-ol is sourced from PubChem (CID 10752678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).