[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine

C11H20N4S — CID 62750144

IUPAC[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCN1CCN(c2ncc(CN)s2)CC1
InChIInChI=1S/C11H20N4S/c1-2-3-14-4-6-15(7-5-14)11-13-9-10(8-12)16-11/h9H,2-8,12H2,1H3
InChIKeyWAJXUBDGUAQLET-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.13
Rot. Bonds4

About [2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine

[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62750144) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is [2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID62750144
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCN1CCN(c2ncc(CN)s2)CC1
InChIInChI=1S/C11H20N4S/c1-2-3-14-4-6-15(7-5-14)11-13-9-10(8-12)16-11/h9H,2-8,12H2,1H3
InChIKeyWAJXUBDGUAQLET-UHFFFAOYSA-N
XLogP1.13
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 62750144) is [2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine is CCCN1CCN(c2ncc(CN)s2)CC1.
What is the InChIKey of [2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WAJXUBDGUAQLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-3-14-4-6-15(7-5-14)11-13-9-10(8-12)16-11/h9H,2-8,12H2,1H3.
What are the key properties of [2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 240.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62750144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).