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

C14H25N3S — CID 112644843

IUPAC5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCC1CN(Cc2cncs2)C(C(C)C)CN1
InChIInChI=1S/C14H25N3S/c1-4-5-12-8-17(9-13-6-15-10-18-13)14(7-16-12)11(2)3/h6,10-12,14,16H,4-5,7-9H2,1-3H3
InChIKeyQCRQVQXDFDBIAU-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.74
Rot. Bonds5

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

5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 112644843) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID112644843
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCC1CN(Cc2cncs2)C(C(C)C)CN1
InChIInChI=1S/C14H25N3S/c1-4-5-12-8-17(9-13-6-15-10-18-13)14(7-16-12)11(2)3/h6,10-12,14,16H,4-5,7-9H2,1-3H3
InChIKeyQCRQVQXDFDBIAU-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole
CID 112644847
5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644827
5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644846
3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408659
1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride
CID 146675492
2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine
CID 64839947
5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644892
5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644850
1-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64838193
5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64946669
5-ethyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64843483
1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 82748990

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole (CID 112644843) is 5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole is CCCC1CN(Cc2cncs2)C(C(C)C)CN1.
What is the InChIKey of 5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is QCRQVQXDFDBIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-5-12-8-17(9-13-6-15-10-18-13)14(7-16-12)11(2)3/h6,10-12,14,16H,4-5,7-9H2,1-3H3.
What are the key properties of 5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).