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

C12H19ClN4O2S — CID 174545212

IUPAC[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2nsc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN4O2S/c1-12(2,3)15-11(18)19-8-4-6-17(7-5-8)10-14-9(13)20-16-10/h8H,4-7H2,1-3H3,(H,15,18)
InChIKeyCZQFXYYGTOIHJZ-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.68
Rot. Bonds2

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

[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 174545212) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate
PubChem CID174545212
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2nsc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN4O2S/c1-12(2,3)15-11(18)19-8-4-6-17(7-5-8)10-14-9(13)20-16-10/h8H,4-7H2,1-3H3,(H,15,18)
InChIKeyCZQFXYYGTOIHJZ-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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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate (CID 174545212) is [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(c2nsc(Cl)n2)CC1.
What is the InChIKey of [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is CZQFXYYGTOIHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-12(2,3)15-11(18)19-8-4-6-17(7-5-8)10-14-9(13)20-16-10/h8H,4-7H2,1-3H3,(H,15,18).
What are the key properties of [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate?
[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate 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 [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174545212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).