[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone

C15H22N4OS2 — CID 155800065

IUPAC[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2nc(C3CC3)ns2)C1)N1CCSCC1
InChIInChI=1S/C15H22N4OS2/c20-14(18-6-8-21-9-7-18)12-2-1-5-19(10-12)15-16-13(17-22-15)11-3-4-11/h11-12H,1-10H2
InChIKeyRINDQOQMLKNUDE-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.21
Rot. Bonds3

About [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone

[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 155800065) has the molecular formula C15H22N4OS2 and a molecular weight of 338.50 g/mol. Its IUPAC name is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID155800065
Molecular FormulaC15H22N4OS2
Molecular Weight338.50 g/mol
Exact Mass338.12
IUPAC Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2nc(C3CC3)ns2)C1)N1CCSCC1
InChIInChI=1S/C15H22N4OS2/c20-14(18-6-8-21-9-7-18)12-2-1-5-19(10-12)15-16-13(17-22-15)11-3-4-11/h11-12H,1-10H2
InChIKeyRINDQOQMLKNUDE-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434962
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
CID 79839034
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
CID 65276097
[1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155799937
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine
CID 65276256
[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800075
[(3S)-1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7482379
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65274693
1-[4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 3899521
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 71923656

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone (CID 155800065) is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCCN(c2nc(C3CC3)ns2)C1)N1CCSCC1.
What is the InChIKey of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is RINDQOQMLKNUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS2/c20-14(18-6-8-21-9-7-18)12-2-1-5-19(10-12)15-16-13(17-22-15)11-3-4-11/h11-12H,1-10H2.
What are the key properties of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 338.50 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 155800065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).