2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide

C12H20N4OS — CID 163352586

IUPAC2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(c2nncs2)CC1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)10(17)14-9-4-6-16(7-5-9)11-15-13-8-18-11/h8-9H,4-7H2,1-3H3,(H,14,17)
InChIKeyLTOMGPFNFFSUCF-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.67
Rot. Bonds2

About 2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide

2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide (PubChem CID 163352586) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
PubChem CID163352586
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(c2nncs2)CC1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)10(17)14-9-4-6-16(7-5-9)11-15-13-8-18-11/h8-9H,4-7H2,1-3H3,(H,14,17)
InChIKeyLTOMGPFNFFSUCF-UHFFFAOYSA-N
XLogP1.67
TPSA58.12 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 68582659
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]propanamide
CID 163348995
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348983
2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 169304025
acetic acid;[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66881287
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350937
2-benzyl-2,3-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)azetidin-3-yl]butanamide
CID 166336279
(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493289
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348934
(4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone
CID 155494338
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348936
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide (CID 163352586) is 2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide is CC(C)(C)C(=O)NC1CCN(c2nncs2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide?
The InChIKey is LTOMGPFNFFSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(2,3)10(17)14-9-4-6-16(7-5-9)11-15-13-8-18-11/h8-9H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide?
2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide has a molecular weight of 268.39 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 163352586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).