5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole

C14H25N3S — CID 64946669

IUPAC5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC1CN(Cc2cnc(C)s2)C(C(C)C)CN1
InChIInChI=1S/C14H25N3S/c1-5-12-8-17(14(7-16-12)10(2)3)9-13-6-15-11(4)18-13/h6,10,12,14,16H,5,7-9H2,1-4H3
InChIKeyVOXFXQPXBABKPY-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.66
Rot. Bonds4

About 5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole

5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 64946669) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID64946669
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC1CN(Cc2cnc(C)s2)C(C(C)C)CN1
InChIInChI=1S/C14H25N3S/c1-5-12-8-17(14(7-16-12)10(2)3)9-13-6-15-11(4)18-13/h6,10,12,14,16H,5,7-9H2,1-4H3
InChIKeyVOXFXQPXBABKPY-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64843483
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 114934592
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64947439
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 106043817
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64937010
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408659
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 102620651

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole (CID 64946669) is 5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole is CCC1CN(Cc2cnc(C)s2)C(C(C)C)CN1.
What is the InChIKey of 5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is VOXFXQPXBABKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-12-8-17(14(7-16-12)10(2)3)9-13-6-15-11(4)18-13/h6,10,12,14,16H,5,7-9H2,1-4H3.
What are the key properties of 5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 64946669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).