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

C12H18N4OS — CID 54886047

IUPAC(3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C12H18N4OS/c17-12(11-7-14-18-15-11)16-6-2-3-9(8-16)10-4-1-5-13-10/h7,9-10,13H,1-6,8H2
InChIKeyABAFPKBHSAWXJJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.14
Rot. Bonds2

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

(3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 54886047) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID54886047
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C12H18N4OS/c17-12(11-7-14-18-15-11)16-6-2-3-9(8-16)10-4-1-5-13-10/h7,9-10,13H,1-6,8H2
InChIKeyABAFPKBHSAWXJJ-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 63256800
(5-hydroxy-3-pyridinyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63851017
(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60979101
(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 54885904
(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978290
(5-bromothiophen-3-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103832103
5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 63259107
(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978829
[(3R)-3-(3,5-dimethoxyanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124595299
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 102679272
(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103832102
oxolan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 54885424

Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 54886047) is (3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCCC(C2CCCN2)C1.
What is the InChIKey of (3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is ABAFPKBHSAWXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c17-12(11-7-14-18-15-11)16-6-2-3-9(8-16)10-4-1-5-13-10/h7,9-10,13H,1-6,8H2.
What are the key properties of (3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 266.37 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 54886047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).