piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone

C7H10N4OS — CID 43522513

IUPACpiperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCNCC1
InChIInChI=1S/C7H10N4OS/c12-7(6-5-9-13-10-6)11-3-1-8-2-4-11/h5,8H,1-4H2
InChIKeyMBNSTEPFUSCKPC-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.42
Rot. Bonds1

About piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone

piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 43522513) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone
PubChem CID43522513
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Namepiperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCNCC1
InChIInChI=1S/C7H10N4OS/c12-7(6-5-9-13-10-6)11-3-1-8-2-4-11/h5,8H,1-4H2
InChIKeyMBNSTEPFUSCKPC-UHFFFAOYSA-N
XLogP-0.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2,5-thiadiazole-3-carbonyl)-1,4-diazepan-5-one
CID 62046931
(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 106671257
6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175147
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 82691427
(2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 63908832
(3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 54886047
1,2,5-thiadiazole-3-carboxylic acid
CID 1398314
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid
CID 117218825
(6-chloropyrazin-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 118279345
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 102679272
[2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 43572891

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone (CID 43522513) is piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is MBNSTEPFUSCKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c12-7(6-5-9-13-10-6)11-3-1-8-2-4-11/h5,8H,1-4H2.
What are the key properties of piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone?
piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 198.25 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 43522513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).