4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one

C12H12N4O2S — CID 60636409

IUPAC4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one
SMILESNc1nc2ccc(C(=O)N3CCNC(=O)C3)cc2s1
InChIInChI=1S/C12H12N4O2S/c13-12-15-8-2-1-7(5-9(8)19-12)11(18)16-4-3-14-10(17)6-16/h1-2,5H,3-4,6H2,(H2,13,15)(H,14,17)
InChIKeyZTQUCOGHPYKQNW-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.45
Rot. Bonds1

About 4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one

4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one (PubChem CID 60636409) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one
PubChem CID60636409
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one
SMILESNc1nc2ccc(C(=O)N3CCNC(=O)C3)cc2s1
InChIInChI=1S/C12H12N4O2S/c13-12-15-8-2-1-7(5-9(8)19-12)11(18)16-4-3-14-10(17)6-16/h1-2,5H,3-4,6H2,(H2,13,15)(H,14,17)
InChIKeyZTQUCOGHPYKQNW-UHFFFAOYSA-N
XLogP0.45
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one?
The IUPAC name of 4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one (CID 60636409) is 4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one is Nc1nc2ccc(C(=O)N3CCNC(=O)C3)cc2s1.
What is the InChIKey of 4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one?
The InChIKey is ZTQUCOGHPYKQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-12-15-8-2-1-7(5-9(8)19-12)11(18)16-4-3-14-10(17)6-16/h1-2,5H,3-4,6H2,(H2,13,15)(H,14,17).
What are the key properties of 4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one?
4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one has a molecular weight of 276.32 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one is sourced from PubChem (CID 60636409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).