1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one

C10H13N3OS — CID 65272112

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESO=C1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C10H13N3OS/c14-8-3-5-13(6-4-8)10-11-9(12-15-10)7-1-2-7/h7H,1-6H2
InChIKeyQDHPRJPNNYYRMB-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.58
Rot. Bonds2

About 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one (PubChem CID 65272112) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
PubChem CID65272112
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESO=C1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C10H13N3OS/c14-8-3-5-13(6-4-8)10-11-9(12-15-10)7-1-2-7/h7H,1-6H2
InChIKeyQDHPRJPNNYYRMB-UHFFFAOYSA-N
XLogP1.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-Methylpiperazin-1-yl)-[1,2,4]thiadiazol-3-yl]propan-2-one
CID 155818948
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-one
CID 107304540
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropiperidine
CID 126776536
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
3-cyclopropyl-5-[(3S)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349569
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59258510
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59433760
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-one
CID 89752796
3-Cyclopropyl-5-piperidin-1-yl-1,2,4-thiadiazole
CID 127417883
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65268308
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65268309
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272111

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one (CID 65272112) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one is O=C1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The InChIKey is QDHPRJPNNYYRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-8-3-5-13(6-4-8)10-11-9(12-15-10)7-1-2-7/h7H,1-6H2.
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one has a molecular weight of 223.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-one is sourced from PubChem (CID 65272112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).