2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole

C17H31N3S — CID 64940312

IUPAC2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole
SMILESCCC(c1nccs1)N1CC(CC(C)C)NCC1C(C)C
InChIInChI=1S/C17H31N3S/c1-6-15(17-18-7-8-21-17)20-11-14(9-12(2)3)19-10-16(20)13(4)5/h7-8,12-16,19H,6,9-11H2,1-5H3
InChIKeyURYNUHZZVCTHOQ-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.94
Rot. Bonds6

About 2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole

2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole (PubChem CID 64940312) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole
PubChem CID64940312
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole
SMILESCCC(c1nccs1)N1CC(CC(C)C)NCC1C(C)C
InChIInChI=1S/C17H31N3S/c1-6-15(17-18-7-8-21-17)20-11-14(9-12(2)3)19-10-16(20)13(4)5/h7-8,12-16,19H,6,9-11H2,1-5H3
InChIKeyURYNUHZZVCTHOQ-UHFFFAOYSA-N
XLogP3.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole?
The IUPAC name of 2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole (CID 64940312) is 2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole is CCC(c1nccs1)N1CC(CC(C)C)NCC1C(C)C.
What is the InChIKey of 2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole?
The InChIKey is URYNUHZZVCTHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-15(17-18-7-8-21-17)20-11-14(9-12(2)3)19-10-16(20)13(4)5/h7-8,12-16,19H,6,9-11H2,1-5H3.
What are the key properties of 2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole?
2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole has a molecular weight of 309.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole is sourced from PubChem (CID 64940312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).