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

C15H27N3S — CID 112644846

IUPAC5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCC1CN(Cc2cncs2)C(C(C)(C)C)CN1
InChIInChI=1S/C15H27N3S/c1-5-6-12-9-18(10-13-7-16-11-19-13)14(8-17-12)15(2,3)4/h7,11-12,14,17H,5-6,8-10H2,1-4H3
InChIKeyWBVPFXSAOQJFDE-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.13
Rot. Bonds4

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

5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 112644846) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID112644846
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCC1CN(Cc2cncs2)C(C(C)(C)C)CN1
InChIInChI=1S/C15H27N3S/c1-5-6-12-9-18(10-13-7-16-11-19-13)14(8-17-12)15(2,3)4/h7,11-12,14,17H,5-6,8-10H2,1-4H3
InChIKeyWBVPFXSAOQJFDE-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole
CID 112644847
5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644892
5-[(2-tert-butylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644815
5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644850
2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
CID 79263883
2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
CID 103016292
2-tert-butyl-1-(cyclopropylmethyl)-5-propylpiperazine
CID 64838594
2-tert-butyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64839180
2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
CID 114014077
2-tert-butyl-1-(2-propan-2-yloxyethyl)-5-propylpiperazine
CID 64838014
2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine
CID 83169601

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole (CID 112644846) is 5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole is CCCC1CN(Cc2cncs2)C(C(C)(C)C)CN1.
What is the InChIKey of 5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is WBVPFXSAOQJFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-6-12-9-18(10-13-7-16-11-19-13)14(8-17-12)15(2,3)4/h7,11-12,14,17H,5-6,8-10H2,1-4H3.
What are the key properties of 5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).