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

C9H13N3OS — CID 58800873

IUPAC(5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCCC2)ns1
InChIInChI=1S/C9H13N3OS/c1-7-10-8(11-14-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyGJGDPWDBPYCVKW-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.47
Rot. Bonds1

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

(5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 58800873) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone
PubChem CID58800873
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone
SMILESCc1nc(C(=O)N2CCCCC2)ns1
InChIInChI=1S/C9H13N3OS/c1-7-10-8(11-14-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyGJGDPWDBPYCVKW-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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Related Compounds

[(S)-3-methyl-1-piperidyl](3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 97355265
1-(3-Methyl-1,2,4-thiadiazole-5-carbonyl)piperidine
CID 71807110
1-[2,3,5,6-Tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 71277803
(3-Methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 170768732
(3-Methyl-1,2,4-thiadiazol-5-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 178466843
(3-Methyl-1,2,4-thiadiazol-5-yl)-piperazin-1-ylmethanone
CID 178621721
3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide
CID 71807106
(3-Methyl-1,2,4-thiadiazol-5-yl)(pyrrolidin-1-yl)methanone
CID 71807109
(3-Methyl-1,2,4-thiadiazol-5-yl)(3-methylpiperidin-1-yl)methanone
CID 71807111
(3-Methyl-1,2,4-thiadiazol-5-yl)(4-methylpiperidin-1-yl)methanone
CID 71807112
1-(3-Methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide
CID 71807115
2,6-Dimethyl-4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)morpholine
CID 71807118

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone (CID 58800873) is (5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone is Cc1nc(C(=O)N2CCCCC2)ns1.
What is the InChIKey of (5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is GJGDPWDBPYCVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-10-8(11-14-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3.
What are the key properties of (5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone?
(5-methyl-1,2,4-thiadiazol-3-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 (5-methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 58800873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).