2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole

C12H21N3S — CID 82191059

IUPAC2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(CN2CCNCC2)s1
InChIInChI=1S/C12H21N3S/c1-10(2)7-12-14-8-11(16-12)9-15-5-3-13-4-6-15/h8,10,13H,3-7,9H2,1-2H3
InChIKeyQYVKSUSZERPUGF-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.75
Rot. Bonds4

About 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole

2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 82191059) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID82191059
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(CN2CCNCC2)s1
InChIInChI=1S/C12H21N3S/c1-10(2)7-12-14-8-11(16-12)9-15-5-3-13-4-6-15/h8,10,13H,3-7,9H2,1-2H3
InChIKeyQYVKSUSZERPUGF-UHFFFAOYSA-N
XLogP1.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole
CID 82191043
2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191023
2-[2-(azepan-1-yl)ethyl]-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191395
4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909092
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine
CID 178104268
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole
CID 120911862
N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050
5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82510651
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120906886
2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 120833610
1-[4-methyl-2-(2-methylpropoxy)phenyl]-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]urea
CID 87230770
5-(piperazin-1-ylmethyl)thiadiazole
CID 65215143

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole (CID 82191059) is 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole is CC(C)Cc1ncc(CN2CCNCC2)s1.
What is the InChIKey of 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is QYVKSUSZERPUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(2)7-12-14-8-11(16-12)9-15-5-3-13-4-6-15/h8,10,13H,3-7,9H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 239.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 82191059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).