1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C12H20N4OS — CID 133366067

IUPAC1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1nnc(N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)10-14-15-11(18-10)16-6-4-8(5-7-16)9(13)17/h8H,4-7H2,1-3H3,(H2,13,17)
InChIKeyKBMHNFBAURKPLE-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.54
Rot. Bonds2

About 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 133366067) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID133366067
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1nnc(N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)10-14-15-11(18-10)16-6-4-8(5-7-16)9(13)17/h8H,4-7H2,1-3H3,(H2,13,17)
InChIKeyKBMHNFBAURKPLE-UHFFFAOYSA-N
XLogP1.54
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 133366067) is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CC(C)(C)c1nnc(N2CCC(C(N)=O)CC2)s1.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is KBMHNFBAURKPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(2,3)10-14-15-11(18-10)16-6-4-8(5-7-16)9(13)17/h8H,4-7H2,1-3H3,(H2,13,17).
What are the key properties of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133366067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).