2-amino-1,3-benzothiazol-5-ol

C7H6N2OS — CID 14195013

IUPAC2-amino-1,3-benzothiazol-5-ol
SMILESNc1nc2cc(O)ccc2s1
InChIInChI=1S/C7H6N2OS/c8-7-9-5-3-4(10)1-2-6(5)11-7/h1-3,10H,(H2,8,9)
InChIKeyPIERIBXILPXPFL-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.58
Rot. Bonds

About 2-amino-1,3-benzothiazol-5-ol

2-amino-1,3-benzothiazol-5-ol (PubChem CID 14195013) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-amino-1,3-benzothiazol-5-ol.

Molecular Properties

Compound Name2-amino-1,3-benzothiazol-5-ol
PubChem CID14195013
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name2-amino-1,3-benzothiazol-5-ol
SMILESNc1nc2cc(O)ccc2s1
InChIInChI=1S/C7H6N2OS/c8-7-9-5-3-4(10)1-2-6(5)11-7/h1-3,10H,(H2,8,9)
InChIKeyPIERIBXILPXPFL-UHFFFAOYSA-N
XLogP1.58
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-benzothiazol-5-ol?
The IUPAC name of 2-amino-1,3-benzothiazol-5-ol (CID 14195013) is 2-amino-1,3-benzothiazol-5-ol.
What is the SMILES notation for 2-amino-1,3-benzothiazol-5-ol?
The canonical SMILES for 2-amino-1,3-benzothiazol-5-ol is Nc1nc2cc(O)ccc2s1.
What is the InChIKey of 2-amino-1,3-benzothiazol-5-ol?
The InChIKey is PIERIBXILPXPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c8-7-9-5-3-4(10)1-2-6(5)11-7/h1-3,10H,(H2,8,9).
What are the key properties of 2-amino-1,3-benzothiazol-5-ol?
2-amino-1,3-benzothiazol-5-ol has a molecular weight of 166.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-benzothiazol-5-ol is sourced from PubChem (CID 14195013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).