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

C15H27N3S — CID 64947629

IUPAC2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCCC1CN(C(C)c2sc(C)nc2C)C(C)CN1
InChIInChI=1S/C15H27N3S/c1-6-7-14-9-18(10(2)8-16-14)12(4)15-11(3)17-13(5)19-15/h10,12,14,16H,6-9H2,1-5H3
InChIKeySMPVJFQWYXINLO-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.28
Rot. Bonds4

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

2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64947629) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64947629
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCCC1CN(C(C)c2sc(C)nc2C)C(C)CN1
InChIInChI=1S/C15H27N3S/c1-6-7-14-9-18(10(2)8-16-14)12(4)15-11(3)17-13(5)19-15/h10,12,14,16H,6-9H2,1-5H3
InChIKeySMPVJFQWYXINLO-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64947244
2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64948206
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]-2-methyl-5-propylpiperazine
CID 64948574
5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 63863300
5-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 66213330
4-[1-(5-ethyl-2-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238271
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
CID 64947937
1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945692
2-ethyl-5-propyl-1-(1-pyridin-2-ylethyl)piperazine
CID 64934355
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine
CID 64846938
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
CID 61059456

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64947629) is 2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole is CCCC1CN(C(C)c2sc(C)nc2C)C(C)CN1.
What is the InChIKey of 2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is SMPVJFQWYXINLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-6-7-14-9-18(10(2)8-16-14)12(4)15-11(3)17-13(5)19-15/h10,12,14,16H,6-9H2,1-5H3.
What are the key properties of 2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole?
2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 3.28, 4 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-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64947629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).