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

C12H21N3S — CID 112644827

IUPAC5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2cncs2)C(C(C)C)CN1
InChIInChI=1S/C12H21N3S/c1-9(2)12-5-14-10(3)6-15(12)7-11-4-13-8-16-11/h4,8-10,12,14H,5-7H2,1-3H3
InChIKeyKPYLTBNEVWLNTB-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.96
Rot. Bonds3

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

5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 112644827) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID112644827
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2cncs2)C(C(C)C)CN1
InChIInChI=1S/C12H21N3S/c1-9(2)12-5-14-10(3)6-15(12)7-11-4-13-8-16-11/h4,8-10,12,14H,5-7H2,1-3H3
InChIKeyKPYLTBNEVWLNTB-UHFFFAOYSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.96
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-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120906200
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 115979536
(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 171774639
1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844500
5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644908
5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole
CID 112644847
5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 115979603
1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846874
5-[(3-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
CID 112644834
5-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 112644963

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 112644827) is 5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is CC1CN(Cc2cncs2)C(C(C)C)CN1.
What is the InChIKey of 5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is KPYLTBNEVWLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(2)12-5-14-10(3)6-15(12)7-11-4-13-8-16-11/h4,8-10,12,14H,5-7H2,1-3H3.
What are the key properties of 5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 239.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).