tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate

C15H24N4O3S — CID 129380197

IUPACtert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
SMILESCCc1nnc(NC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)s1
InChIInChI=1S/C15H24N4O3S/c1-5-11-17-18-13(23-11)16-14(21)19-8-6-7-10(9-19)12(20)22-15(2,3)4/h10H,5-9H2,1-4H3,(H,16,18,21)/t10-/m1/s1
InChIKeyHTIXVAPPWICLJD-SNVBAGLBSA-N
MW340.45 g/mol
LogP2.69
Rot. Bonds3

About tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate

tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate (PubChem CID 129380197) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
PubChem CID129380197
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Nametert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
SMILESCCc1nnc(NC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)s1
InChIInChI=1S/C15H24N4O3S/c1-5-11-17-18-13(23-11)16-14(21)19-8-6-7-10(9-19)12(20)22-15(2,3)4/h10H,5-9H2,1-4H3,(H,16,18,21)/t10-/m1/s1
InChIKeyHTIXVAPPWICLJD-SNVBAGLBSA-N
XLogP2.69
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380196
tert-butyl (2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 167923098
1-[[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122087159
tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate
CID 122131614
tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129471736
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47988948
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 29410855
(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 94857759
3-(hydroxymethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890794
1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355
1-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122079760

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate (CID 129380197) is tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate is CCc1nnc(NC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)s1.
What is the InChIKey of tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is HTIXVAPPWICLJD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-5-11-17-18-13(23-11)16-14(21)19-8-6-7-10(9-19)12(20)22-15(2,3)4/h10H,5-9H2,1-4H3,(H,16,18,21)/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate?
tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 129380197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).