1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine

C14H26N4S — CID 64543572

IUPAC1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCC(C)N1CCN(c2nc(C(C)NC)cs2)CC1
InChIInChI=1S/C14H26N4S/c1-5-11(2)17-6-8-18(9-7-17)14-16-13(10-19-14)12(3)15-4/h10-12,15H,5-9H2,1-4H3
InChIKeyVRUUSSSTRUHGBW-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.34
Rot. Bonds5

About 1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 64543572) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID64543572
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCC(C)N1CCN(c2nc(C(C)NC)cs2)CC1
InChIInChI=1S/C14H26N4S/c1-5-11(2)17-6-8-18(9-7-17)14-16-13(10-19-14)12(3)15-4/h10-12,15H,5-9H2,1-4H3
InChIKeyVRUUSSSTRUHGBW-UHFFFAOYSA-N
XLogP2.34
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 64543572) is 1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine is CCC(C)N1CCN(c2nc(C(C)NC)cs2)CC1.
What is the InChIKey of 1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is VRUUSSSTRUHGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-5-11(2)17-6-8-18(9-7-17)14-16-13(10-19-14)12(3)15-4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 282.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 64543572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).