(4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

C8H12N4OS — CID 43556240

IUPAC(4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESNC1CCN(C(=O)c2cnsn2)CC1
InChIInChI=1S/C8H12N4OS/c9-6-1-3-12(4-2-6)8(13)7-5-10-14-11-7/h5-6H,1-4,9H2
InChIKeyCKHLGAMBVDNESH-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.10
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

(4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 43556240) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID43556240
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name(4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESNC1CCN(C(=O)c2cnsn2)CC1
InChIInChI=1S/C8H12N4OS/c9-6-1-3-12(4-2-6)8(13)7-5-10-14-11-7/h5-6H,1-4,9H2
InChIKeyCKHLGAMBVDNESH-UHFFFAOYSA-N
XLogP0.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 43556240) is (4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is NC1CCN(C(=O)c2cnsn2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is CKHLGAMBVDNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-6-1-3-12(4-2-6)8(13)7-5-10-14-11-7/h5-6H,1-4,9H2.
What are the key properties of (4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 212.28 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 43556240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).