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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Related Compounds

N-[6-(3-oxopiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide
CID 39342305
(2-amino-1,3-benzothiazol-6-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 65349015
(2-amino-1,3-benzothiazol-6-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220608
(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 75366132
(2-amino-1,3-benzothiazol-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 65349242
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180940
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
CID 60656782
1-(2-amino-1,3-benzothiazole-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65349267
4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
CID 82832628
(2-amino-1,3-benzothiazol-6-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217968

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).