(3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone

C9H13N3OS — CID 71807110

IUPAC(3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1nsc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C9H13N3OS/c1-7-10-8(14-11-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyQNRZEXBSJCYPQN-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.47
Rot. Bonds1

About (3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone

(3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 71807110) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone
PubChem CID71807110
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1nsc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C9H13N3OS/c1-7-10-8(14-11-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyQNRZEXBSJCYPQN-UHFFFAOYSA-N
XLogP1.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone (CID 71807110) is (3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone is Cc1nsc(C(=O)N2CCCCC2)n1.
What is the InChIKey of (3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is QNRZEXBSJCYPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-10-8(14-11-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3.
What are the key properties of (3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone?
(3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 211.29 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-thiadiazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 71807110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).