(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone

C11H16N4OS — CID 65216007

IUPAC(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCCC1C1CCCN1
InChIInChI=1S/C11H16N4OS/c16-11(9-7-17-14-13-9)15-6-2-4-10(15)8-3-1-5-12-8/h7-8,10,12H,1-6H2
InChIKeyANOKHWUCJVWAJI-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.89
Rot. Bonds2

About (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone

(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone (PubChem CID 65216007) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
PubChem CID65216007
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCCC1C1CCCN1
InChIInChI=1S/C11H16N4OS/c16-11(9-7-17-14-13-9)15-6-2-4-10(15)8-3-1-5-12-8/h7-8,10,12H,1-6H2
InChIKeyANOKHWUCJVWAJI-UHFFFAOYSA-N
XLogP0.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2-methyl-1,3-thiazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 65198464
(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273018
(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 63256800
piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 65216605
(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 104639225
2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one
CID 79553480
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 63653304
(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256583
N,N-dimethyl-2-pyrrolidin-2-ylpyrrolidine-1-carboxamide
CID 79154748
(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274583
(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-(thiadiazol-4-yl)methanone
CID 128539513

Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone (CID 65216007) is (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCCC1C1CCCN1.
What is the InChIKey of (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is ANOKHWUCJVWAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-11(9-7-17-14-13-9)15-6-2-4-10(15)8-3-1-5-12-8/h7-8,10,12H,1-6H2.
What are the key properties of (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone?
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 252.34 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 65216007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).