2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol

C14H12N2OS — CID 136980092

IUPAC2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol
SMILESCc1ccc2nc(-c3cccc(N)c3O)sc2c1
InChIInChI=1S/C14H12N2OS/c1-8-5-6-11-12(7-8)18-14(16-11)9-3-2-4-10(15)13(9)17/h2-7,17H,15H2,1H3
InChIKeyWHORCQFALLXKSH-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.56
Rot. Bonds1

About 2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol

2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol (PubChem CID 136980092) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol
PubChem CID136980092
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol
SMILESCc1ccc2nc(-c3cccc(N)c3O)sc2c1
InChIInChI=1S/C14H12N2OS/c1-8-5-6-11-12(7-8)18-14(16-11)9-3-2-4-10(15)13(9)17/h2-7,17H,15H2,1H3
InChIKeyWHORCQFALLXKSH-UHFFFAOYSA-N
XLogP3.56
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
2-amino-6-(1,3-benzothiazol-2-yl)phenol
CID 135623123
2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol
CID 136712634
2-(2-aminophenyl)-1,3-benzothiazol-6-ol
CID 149215571
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
CID 50849818
2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 79142624
3-fluoro-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 114002272
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
3-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenol
CID 67238148
3-[(E)-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenol
CID 58342006

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol (CID 136980092) is 2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol is Cc1ccc2nc(-c3cccc(N)c3O)sc2c1.
What is the InChIKey of 2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol?
The InChIKey is WHORCQFALLXKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-8-5-6-11-12(7-8)18-14(16-11)9-3-2-4-10(15)13(9)17/h2-7,17H,15H2,1H3.
What are the key properties of 2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol?
2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol has a molecular weight of 256.33 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 136980092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).