2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole

C13H23N3S — CID 116969147

IUPAC2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CCC2CN(C)CCN2)n1
InChIInChI=1S/C13H23N3S/c1-10(2)12-9-17-13(15-12)5-4-11-8-16(3)7-6-14-11/h9-11,14H,4-8H2,1-3H3
InChIKeyLGKQPGVDDSHPKX-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole

2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 116969147) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole
PubChem CID116969147
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CCC2CN(C)CCN2)n1
InChIInChI=1S/C13H23N3S/c1-10(2)12-9-17-13(15-12)5-4-11-8-16(3)7-6-14-11/h9-11,14H,4-8H2,1-3H3
InChIKeyLGKQPGVDDSHPKX-UHFFFAOYSA-N
XLogP2.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
CID 116928299
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
4-(2-methylpropyl)-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 116968484
2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole
CID 131909763
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 59060023
N-[(4-bromothiophen-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239419
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171
4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635
3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238602
N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82102841
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole (CID 116969147) is 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(CCC2CN(C)CCN2)n1.
What is the InChIKey of 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is LGKQPGVDDSHPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)12-9-17-13(15-12)5-4-11-8-16(3)7-6-14-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole?
2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 116969147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).