2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one

C7H8N2OS — CID 587850

IUPAC2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESNc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C7H8N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2,(H2,8,9)
InChIKeyJAZOMJIYYHHUBH-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.24
Rot. Bonds

About 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 587850) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID587850
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESNc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C7H8N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2,(H2,8,9)
InChIKeyJAZOMJIYYHHUBH-UHFFFAOYSA-N
XLogP1.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 587850) is 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one is Nc1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is JAZOMJIYYHHUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2,(H2,8,9).
What are the key properties of 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 168.22 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 587850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).