(5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone

C8H12N4O3S — CID 117213403

IUPAC(5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone
SMILESNC1=C(C(=O)N2CCNCC2)C=NS1(=O)=O
InChIInChI=1S/C8H12N4O3S/c9-7-6(5-11-16(7,14)15)8(13)12-3-1-10-2-4-12/h5,10H,1-4,9H2
InChIKeyNFFORZUFXONZTH-UHFFFAOYSA-N
MW244.28 g/mol
LogP-2.00
Rot. Bonds1

About (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone

(5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 117213403) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone
PubChem CID117213403
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name(5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone
SMILESNC1=C(C(=O)N2CCNCC2)C=NS1(=O)=O
InChIInChI=1S/C8H12N4O3S/c9-7-6(5-11-16(7,14)15)8(13)12-3-1-10-2-4-12/h5,10H,1-4,9H2
InChIKeyNFFORZUFXONZTH-UHFFFAOYSA-N
XLogP-2.00
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone 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

(3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
CID 117218069
(6-amino-2-pyridinyl)-piperazin-1-ylmethanone
CID 82507133
(5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone
CID 117214816
piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 43522513
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
(5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone
CID 82511462
(3-amino-5-fluorophenyl)-piperazin-1-ylmethanone
CID 82509521
5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
CID 175890901
(1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone
CID 28788625
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone (CID 117213403) is (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone is NC1=C(C(=O)N2CCNCC2)C=NS1(=O)=O.
What is the InChIKey of (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is NFFORZUFXONZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c9-7-6(5-11-16(7,14)15)8(13)12-3-1-10-2-4-12/h5,10H,1-4,9H2.
What are the key properties of (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone?
(5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 244.28 g/mol, XLogP of -2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 117213403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).