1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone

C17H17N3O3S2 — CID 5181209

IUPAC1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C17H17N3O3S2/c21-16(12-13-4-3-11-24-13)19-7-9-20(10-8-19)17-14-5-1-2-6-15(14)25(22,23)18-17/h1-6,11H,7-10,12H2
InChIKeyMPQNIKGUZRBPRQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP1.58
Rot. Bonds2

About 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 5181209) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID5181209
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C17H17N3O3S2/c21-16(12-13-4-3-11-24-13)19-7-9-20(10-8-19)17-14-5-1-2-6-15(14)25(22,23)18-17/h1-6,11H,7-10,12H2
InChIKeyMPQNIKGUZRBPRQ-UHFFFAOYSA-N
XLogP1.58
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 154581669
N-[2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-oxoethyl]prop-2-enamide
CID 166411589
(2R)-1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 94029903
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 42887583
2-[4-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 108536450
1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 70787649
1-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 91818391
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292
1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110642249
methyl 2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]benzoate
CID 113078375

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 5181209) is 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is MPQNIKGUZRBPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c21-16(12-13-4-3-11-24-13)19-7-9-20(10-8-19)17-14-5-1-2-6-15(14)25(22,23)18-17/h1-6,11H,7-10,12H2.
What are the key properties of 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 375.48 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 5181209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).