2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole

C17H31N3S — CID 64948206

IUPAC2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCCC1CN(C(C)c2sc(C)nc2C)C(C(C)C)CN1
InChIInChI=1S/C17H31N3S/c1-7-8-15-10-20(16(9-18-15)11(2)3)13(5)17-12(4)19-14(6)21-17/h11,13,15-16,18H,7-10H2,1-6H3
InChIKeyFEABIELTQJVNTM-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.92
Rot. Bonds5

About 2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole

2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64948206) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64948206
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCCC1CN(C(C)c2sc(C)nc2C)C(C(C)C)CN1
InChIInChI=1S/C17H31N3S/c1-7-8-15-10-20(16(9-18-15)11(2)3)13(5)17-12(4)19-14(6)21-17/h11,13,15-16,18H,7-10H2,1-6H3
InChIKeyFEABIELTQJVNTM-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64947629
5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64947244
5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64947821
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64948573
1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-yl-5-propylpiperazine
CID 64947776
5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 63863300
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine
CID 64948574
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
CID 61059456
1-cyclooctyl-2-propan-2-yl-5-propylpiperazine
CID 64931569
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64948206) is 2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole is CCCC1CN(C(C)c2sc(C)nc2C)C(C(C)C)CN1.
What is the InChIKey of 2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is FEABIELTQJVNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-7-8-15-10-20(16(9-18-15)11(2)3)13(5)17-12(4)19-14(6)21-17/h11,13,15-16,18H,7-10H2,1-6H3.
What are the key properties of 2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole?
2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 309.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64948206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).