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

C19H27N5O3S — CID 59013933

IUPACtert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2nsnc2OCc2ccncc2)CC1
InChIInChI=1S/C19H27N5O3S/c1-19(2,3)27-18(25)21-12-14-6-10-24(11-7-14)16-17(23-28-22-16)26-13-15-4-8-20-9-5-15/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,21,25)
InChIKeyFAJXEZNESYYYGP-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.25
Rot. Bonds6

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

tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate (PubChem CID 59013933) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate
PubChem CID59013933
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Nametert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2nsnc2OCc2ccncc2)CC1
InChIInChI=1S/C19H27N5O3S/c1-19(2,3)27-18(25)21-12-14-6-10-24(11-7-14)16-17(23-28-22-16)26-13-15-4-8-20-9-5-15/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,21,25)
InChIKeyFAJXEZNESYYYGP-UHFFFAOYSA-N
XLogP3.25
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide
CID 59013751
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946
tert-butyl N-[[1-(2-chloro-4-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 121204851
tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430
tert-butyl N-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
CID 133300314
tert-butyl N-[[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97176211
tert-butyl N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]carbamate
CID 71632518
tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
CID 71242125
tert-butyl N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 71632480
tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate
CID 168885145

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate (CID 59013933) is tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(c2nsnc2OCc2ccncc2)CC1.
What is the InChIKey of tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate?
The InChIKey is FAJXEZNESYYYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-19(2,3)27-18(25)21-12-14-6-10-24(11-7-14)16-17(23-28-22-16)26-13-15-4-8-20-9-5-15/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,21,25).
What are the key properties of tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate has a molecular weight of 405.52 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 59013933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).