4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole

C11H20N4S — CID 65205358

IUPAC4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole
SMILESCC(C)(C)c1nnsc1CN1CCNCC1
InChIInChI=1S/C11H20N4S/c1-11(2,3)10-9(16-14-13-10)8-15-6-4-12-5-7-15/h12H,4-8H2,1-3H3
InChIKeyOSWPNIAFCRQWNO-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.24
Rot. Bonds2

About 4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole

4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole (PubChem CID 65205358) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole.

Molecular Properties

Compound Name4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole
PubChem CID65205358
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole
SMILESCC(C)(C)c1nnsc1CN1CCNCC1
InChIInChI=1S/C11H20N4S/c1-11(2,3)10-9(16-14-13-10)8-15-6-4-12-5-7-15/h12H,4-8H2,1-3H3
InChIKeyOSWPNIAFCRQWNO-UHFFFAOYSA-N
XLogP1.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole?
The IUPAC name of 4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole (CID 65205358) is 4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole.
What is the SMILES notation for 4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole?
The canonical SMILES for 4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole is CC(C)(C)c1nnsc1CN1CCNCC1.
What is the InChIKey of 4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole?
The InChIKey is OSWPNIAFCRQWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-11(2,3)10-9(16-14-13-10)8-15-6-4-12-5-7-15/h12H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole?
4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole has a molecular weight of 240.38 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole is sourced from PubChem (CID 65205358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).