[(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

C10H15N3OS — CID 97355265

IUPAC[(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2CCC[C@H](C)C2)n1
InChIInChI=1S/C10H15N3OS/c1-7-4-3-5-13(6-7)10(14)9-11-8(2)12-15-9/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyDNYYGBZRPURJMQ-ZETCQYMHSA-N
MW225.32 g/mol
LogP1.72
Rot. Bonds1

About [(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

[(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (PubChem CID 97355265) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is [(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
PubChem CID97355265
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name[(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2CCC[C@H](C)C2)n1
InChIInChI=1S/C10H15N3OS/c1-7-4-3-5-13(6-7)10(14)9-11-8(2)12-15-9/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyDNYYGBZRPURJMQ-ZETCQYMHSA-N
XLogP1.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (CID 97355265) is [(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is Cc1nsc(C(=O)N2CCC[C@H](C)C2)n1.
What is the InChIKey of [(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The InChIKey is DNYYGBZRPURJMQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-4-3-5-13(6-7)10(14)9-11-8(2)12-15-9/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of [(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
[(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone has a molecular weight of 225.32 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperidin-1-yl]-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is sourced from PubChem (CID 97355265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).