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

C17H31N3S — CID 64939835

IUPAC4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole
SMILESCc1csc(CCN2CC(CC(C)C)NCC2C(C)C)n1
InChIInChI=1S/C17H31N3S/c1-12(2)8-15-10-20(16(9-18-15)13(3)4)7-6-17-19-14(5)11-21-17/h11-13,15-16,18H,6-10H2,1-5H3
InChIKeyLZDBQONJJGHOBH-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.34
Rot. Bonds6

About 4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole

4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 64939835) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID64939835
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole
SMILESCc1csc(CCN2CC(CC(C)C)NCC2C(C)C)n1
InChIInChI=1S/C17H31N3S/c1-12(2)8-15-10-20(16(9-18-15)13(3)4)7-6-17-19-14(5)11-21-17/h11-13,15-16,18H,6-10H2,1-5H3
InChIKeyLZDBQONJJGHOBH-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64940221
2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64939834
5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016459
4-methyl-2-[2-(8-propan-2-yl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64940220
2-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941574
2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64936843
5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 64849123
4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 106043362
2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941766
N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine
CID 64933854
2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64849704
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 115943612

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole (CID 64939835) is 4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole is Cc1csc(CCN2CC(CC(C)C)NCC2C(C)C)n1.
What is the InChIKey of 4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is LZDBQONJJGHOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-12(2)8-15-10-20(16(9-18-15)13(3)4)7-6-17-19-14(5)11-21-17/h11-13,15-16,18H,6-10H2,1-5H3.
What are the key properties of 4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole?
4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 309.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 64939835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).