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

C12H19ClN4O2S — CID 86625483

IUPACtert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nsc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN4O2S/c1-12(2,3)19-11(18)14-8-4-6-17(7-5-8)10-15-9(13)20-16-10/h8H,4-7H2,1-3H3,(H,14,18)
InChIKeyPNBDABOQFJENBN-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.68
Rot. Bonds2

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

tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate (PubChem CID 86625483) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate
PubChem CID86625483
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Nametert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nsc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN4O2S/c1-12(2,3)19-11(18)14-8-4-6-17(7-5-8)10-15-9(13)20-16-10/h8H,4-7H2,1-3H3,(H,14,18)
InChIKeyPNBDABOQFJENBN-UHFFFAOYSA-N
XLogP2.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
CID 71920272
Isobutyl 1-(3-bromo-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 58182722
[1-(3-Methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-carbamic acid tert-butyl ester
CID 58398025
{3-[(3-Chloro-[1,2,4]thiadiazol-5-yl)-methyl-amino]-propyl}-carbamic acid tert-butyl ester
CID 59551923
[1-(5-Chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid
CID 68778618
Tert-butyl 1-(3-(dimethylamino)-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 89542692
Tert-butyl 1-(3-chloro-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 89542803
Tert-butyl 1-(3-isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 89543407
2-methylpropyl N-(3-bromo-1,2,4-thiadiazol-5-yl)-N-piperidin-4-ylcarbamate
CID 90690164
tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane
CID 123912494
[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174545212
Ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate
CID 65270922

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate (CID 86625483) is tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2nsc(Cl)n2)CC1.
What is the InChIKey of tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate?
The InChIKey is PNBDABOQFJENBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-12(2,3)19-11(18)14-8-4-6-17(7-5-8)10-15-9(13)20-16-10/h8H,4-7H2,1-3H3,(H,14,18).
What are the key properties of tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate has a molecular weight of 318.83 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 86625483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).