tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate

C19H29N5O3S — CID 133395511

IUPACtert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate
SMILESCCCc1cc(=O)n2nc(N3CCC(NC(=O)OC(C)(C)C)CC3C)sc2n1
InChIInChI=1S/C19H29N5O3S/c1-6-7-13-11-15(25)24-16(20-13)28-17(22-24)23-9-8-14(10-12(23)2)21-18(26)27-19(3,4)5/h11-12,14H,6-10H2,1-5H3,(H,21,26)
InChIKeyQMGDWKYYPVKITB-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate

tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate (PubChem CID 133395511) has the molecular formula C19H29N5O3S and a molecular weight of 407.54 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate
PubChem CID133395511
Molecular FormulaC19H29N5O3S
Molecular Weight407.54 g/mol
Exact Mass407.20
IUPAC Nametert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate
SMILESCCCc1cc(=O)n2nc(N3CCC(NC(=O)OC(C)(C)C)CC3C)sc2n1
InChIInChI=1S/C19H29N5O3S/c1-6-7-13-11-15(25)24-16(20-13)28-17(22-24)23-9-8-14(10-12(23)2)21-18(26)27-19(3,4)5/h11-12,14H,6-10H2,1-5H3,(H,21,26)
InChIKeyQMGDWKYYPVKITB-UHFFFAOYSA-N
XLogP2.99
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395518
tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate
CID 133395620
tert-butyl N-[1-(5-bromopyrimidin-2-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395587
tert-butyl N-[1-(1-chloroisoquinolin-3-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395576
tert-butyl N-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395545
tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate
CID 137258135
tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate
CID 71708240
tert-butyl N-[1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395634
tert-butyl N-[2-methyl-1-(2-nitrophenyl)piperidin-4-yl]carbamate
CID 133395563
tert-butyl N-[2-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 133395581
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 174512585

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate (CID 133395511) is tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate is CCCc1cc(=O)n2nc(N3CCC(NC(=O)OC(C)(C)C)CC3C)sc2n1.
What is the InChIKey of tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate?
The InChIKey is QMGDWKYYPVKITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3S/c1-6-7-13-11-15(25)24-16(20-13)28-17(22-24)23-9-8-14(10-12(23)2)21-18(26)27-19(3,4)5/h11-12,14H,6-10H2,1-5H3,(H,21,26).
What are the key properties of tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate?
tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate has a molecular weight of 407.54 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 133395511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).