(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

C12H18N4OS — CID 63256800

IUPAC(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCCCC1C1CCCN1
InChIInChI=1S/C12H18N4OS/c17-12(10-8-14-18-15-10)16-7-2-1-5-11(16)9-4-3-6-13-9/h8-9,11,13H,1-7H2
InChIKeyNEGWDCWYYJQQMX-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.28
Rot. Bonds2

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

(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 63256800) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID63256800
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCCCC1C1CCCN1
InChIInChI=1S/C12H18N4OS/c17-12(10-8-14-18-15-10)16-7-2-1-5-11(16)9-4-3-6-13-9/h8-9,11,13H,1-7H2
InChIKeyNEGWDCWYYJQQMX-UHFFFAOYSA-N
XLogP1.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-1,3-thiazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 65198464
(3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 54886047
[2-(hydroxymethyl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 43572891
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216007
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 102679272
cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256843
(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103511553
(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 104639225
(4aS,7aR)-1-(1,2,5-thiadiazole-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 99793193
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256583
cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 55169525

Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 63256800) is (2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCCCC1C1CCCN1.
What is the InChIKey of (2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is NEGWDCWYYJQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c17-12(10-8-14-18-15-10)16-7-2-1-5-11(16)9-4-3-6-13-9/h8-9,11,13H,1-7H2.
What are the key properties of (2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 266.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 63256800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).