(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C13H20N4OS — CID 63256583

IUPAC(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C13H20N4OS/c1-9-12(19-16-15-9)13(18)17-8-3-2-6-11(17)10-5-4-7-14-10/h10-11,14H,2-8H2,1H3
InChIKeyAELXGKVELABTSC-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.59
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63256583) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63256583
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C13H20N4OS/c1-9-12(19-16-15-9)13(18)17-8-3-2-6-11(17)10-5-4-7-14-10/h10-11,14H,2-8H2,1H3
InChIKeyAELXGKVELABTSC-UHFFFAOYSA-N
XLogP1.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273018
(2-methyl-1,3-thiazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 65198464
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216007
[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177812
(2-pyrrolidin-2-ylpiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 63256800
1-(2-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 76991018
(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81118490
cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256843
(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103511553
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 115316269
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63256583) is (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is Cc1nnsc1C(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is AELXGKVELABTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9-12(19-16-15-9)13(18)17-8-3-2-6-11(17)10-5-4-7-14-10/h10-11,14H,2-8H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 280.40 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63256583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).