1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone

C13H21N3OS — CID 65272276

IUPAC1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2nc(C(C)(C)C)ns2)C1
InChIInChI=1S/C13H21N3OS/c1-9(17)10-6-5-7-16(8-10)12-14-11(15-18-12)13(2,3)4/h10H,5-8H2,1-4H3
InChIKeyUUTYLGJVPHQORQ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.64
Rot. Bonds2

About 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone

1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (PubChem CID 65272276) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
PubChem CID65272276
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2nc(C(C)(C)C)ns2)C1
InChIInChI=1S/C13H21N3OS/c1-9(17)10-6-5-7-16(8-10)12-14-11(15-18-12)13(2,3)4/h10H,5-8H2,1-4H3
InChIKeyUUTYLGJVPHQORQ-UHFFFAOYSA-N
XLogP2.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (CID 65272276) is 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2nc(C(C)(C)C)ns2)C1.
What is the InChIKey of 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The InChIKey is UUTYLGJVPHQORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(17)10-6-5-7-16(8-10)12-14-11(15-18-12)13(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone has a molecular weight of 267.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 65272276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).