[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C11H17N3OS — CID 7576695

IUPAC[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C11H17N3OS/c1-7-4-8(2)6-14(5-7)11(15)10-9(3)12-13-16-10/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyZRRMYJZMAYMQNZ-YUMQZZPRSA-N
MW239.34 g/mol
LogP1.96
Rot. Bonds1

About [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 7576695) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID7576695
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C11H17N3OS/c1-7-4-8(2)6-14(5-7)11(15)10-9(3)12-13-16-10/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyZRRMYJZMAYMQNZ-YUMQZZPRSA-N
XLogP1.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 7576695) is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1C[C@@H](C)C[C@H](C)C1.
What is the InChIKey of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is ZRRMYJZMAYMQNZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-4-8(2)6-14(5-7)11(15)10-9(3)12-13-16-10/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 7576695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).