4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide

C17H30N4OS — CID 127463918

IUPAC4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCC(C)(C)c1nnc(CNC(=O)N2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C17H30N4OS/c1-16(2,3)12-7-9-21(10-8-12)15(22)18-11-13-19-20-14(23-13)17(4,5)6/h12H,7-11H2,1-6H3,(H,18,22)
InChIKeyNPKXQGNUNXFTID-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.80
Rot. Bonds2

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

4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 127463918) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID127463918
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCC(C)(C)c1nnc(CNC(=O)N2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C17H30N4OS/c1-16(2,3)12-7-9-21(10-8-12)15(22)18-11-13-19-20-14(23-13)17(4,5)6/h12H,7-11H2,1-6H3,(H,18,22)
InChIKeyNPKXQGNUNXFTID-UHFFFAOYSA-N
XLogP3.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75379889
(6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide
CID 129345345
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119344857
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119820943
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide
CID 154739812
5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013484
1-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122016032
4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 118688704
4-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 81067824
2-[[(4-tert-butylazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226928

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide (CID 127463918) is 4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide is CC(C)(C)c1nnc(CNC(=O)N2CCC(C(C)(C)C)CC2)s1.
What is the InChIKey of 4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is NPKXQGNUNXFTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-16(2,3)12-7-9-21(10-8-12)15(22)18-11-13-19-20-14(23-13)17(4,5)6/h12H,7-11H2,1-6H3,(H,18,22).
What are the key properties of 4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide?
4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 338.52 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 127463918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).