5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

C11H20N4S — CID 120900644

IUPAC5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCN1CCN(Cc2cnc(N)s2)C(C)(C)C1
InChIInChI=1S/C11H20N4S/c1-11(2)8-14(3)4-5-15(11)7-9-6-13-10(12)16-9/h6H,4-5,7-8H2,1-3H3,(H2,12,13)
InChIKeyUEJBKILKHJOXRF-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.25
Rot. Bonds2

About 5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120900644) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120900644
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCN1CCN(Cc2cnc(N)s2)C(C)(C)C1
InChIInChI=1S/C11H20N4S/c1-11(2)8-14(3)4-5-15(11)7-9-6-13-10(12)16-9/h6H,4-5,7-8H2,1-3H3,(H2,12,13)
InChIKeyUEJBKILKHJOXRF-UHFFFAOYSA-N
XLogP1.25
TPSA45.39 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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (CID 120900644) is 5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is CN1CCN(Cc2cnc(N)s2)C(C)(C)C1.
What is the InChIKey of 5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is UEJBKILKHJOXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-11(2)8-14(3)4-5-15(11)7-9-6-13-10(12)16-9/h6H,4-5,7-8H2,1-3H3,(H2,12,13).
What are the key properties of 5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 240.38 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120900644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).