N-(5-amino-1,3-benzothiazol-2-yl)acetamide

C9H9N3OS — CID 810335

IUPACN-(5-amino-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2cc(N)ccc2s1
InChIInChI=1S/C9H9N3OS/c1-5(13)11-9-12-7-4-6(10)2-3-8(7)14-9/h2-4H,10H2,1H3,(H,11,12,13)
InChIKeyFFTOYMCSFXFQOZ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.84
Rot. Bonds1

About N-(5-amino-1,3-benzothiazol-2-yl)acetamide

N-(5-amino-1,3-benzothiazol-2-yl)acetamide (PubChem CID 810335) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is N-(5-amino-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-1,3-benzothiazol-2-yl)acetamide
PubChem CID810335
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameN-(5-amino-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2cc(N)ccc2s1
InChIInChI=1S/C9H9N3OS/c1-5(13)11-9-12-7-4-6(10)2-3-8(7)14-9/h2-4H,10H2,1H3,(H,11,12,13)
InChIKeyFFTOYMCSFXFQOZ-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(5-amino-1,3-benzothiazol-2-yl)acetamide (CID 810335) is N-(5-amino-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-amino-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(5-amino-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2cc(N)ccc2s1.
What is the InChIKey of N-(5-amino-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is FFTOYMCSFXFQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-5(13)11-9-12-7-4-6(10)2-3-8(7)14-9/h2-4H,10H2,1H3,(H,11,12,13).
What are the key properties of N-(5-amino-1,3-benzothiazol-2-yl)acetamide?
N-(5-amino-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 207.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 810335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).