4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole

C12H21N3S — CID 28750248

IUPAC4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCNCC2)n1
InChIInChI=1S/C12H21N3S/c1-12(2,3)10-9-16-11(14-10)8-15-6-4-13-5-7-15/h9,13H,4-8H2,1-3H3
InChIKeyJFJACYUTQSMDQE-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.85
Rot. Bonds2

About 4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole

4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 28750248) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID28750248
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCNCC2)n1
InChIInChI=1S/C12H21N3S/c1-12(2,3)10-9-16-11(14-10)8-15-6-4-13-5-7-15/h9,13H,4-8H2,1-3H3
InChIKeyJFJACYUTQSMDQE-UHFFFAOYSA-N
XLogP1.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole (CID 28750248) is 4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole is CC(C)(C)c1csc(CN2CCNCC2)n1.
What is the InChIKey of 4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is JFJACYUTQSMDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2,3)10-9-16-11(14-10)8-15-6-4-13-5-7-15/h9,13H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole?
4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 239.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 28750248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).