tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate

C18H24N6O3S — CID 47716505

IUPACtert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Nc2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C18H24N6O3S/c1-18(2,3)27-17(26)20-12-7-10-24(11-8-12)16(25)21-15-23-22-14(28-15)13-6-4-5-9-19-13/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,20,26)(H,21,23,25)
InChIKeyDPNOOGBAGHIJLR-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.12
Rot. Bonds3

About tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate (PubChem CID 47716505) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate
PubChem CID47716505
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC Nametert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Nc2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C18H24N6O3S/c1-18(2,3)27-17(26)20-12-7-10-24(11-8-12)16(25)21-15-23-22-14(28-15)13-6-4-5-9-19-13/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,20,26)(H,21,23,25)
InChIKeyDPNOOGBAGHIJLR-UHFFFAOYSA-N
XLogP3.12
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51119005
(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 75467005
tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 110874414
tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 46262425
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate
CID 55972152
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 60600812
tert-butyl N-[(1R,3S)-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)cyclohexyl]carbamate
CID 175891412
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate
CID 167977498

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate (CID 47716505) is tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2nnc(-c3ccccn3)s2)CC1.
What is the InChIKey of tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate?
The InChIKey is DPNOOGBAGHIJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-18(2,3)27-17(26)20-12-7-10-24(11-8-12)16(25)21-15-23-22-14(28-15)13-6-4-5-9-19-13/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,20,26)(H,21,23,25).
What are the key properties of tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate has a molecular weight of 404.50 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 47716505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).