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

C16H27N3S — CID 64940605

IUPAC2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCC(C)C1CNC(C)(C2CC2)CN1CCc1nccs1
InChIInChI=1S/C16H27N3S/c1-12(2)14-10-18-16(3,13-4-5-13)11-19(14)8-6-15-17-7-9-20-15/h7,9,12-14,18H,4-6,8,10-11H2,1-3H3
InChIKeyOZRYIDXWNRKXKB-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.78
Rot. Bonds5

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

2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64940605) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64940605
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCC(C)C1CNC(C)(C2CC2)CN1CCc1nccs1
InChIInChI=1S/C16H27N3S/c1-12(2)14-10-18-16(3,13-4-5-13)11-19(14)8-6-15-17-7-9-20-15/h7,9,12-14,18H,4-6,8,10-11H2,1-3H3
InChIKeyOZRYIDXWNRKXKB-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64948017
4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine
CID 106326954
5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64941949
5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine
CID 103016594
2-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941574
2-[1-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64942052
2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64939834
5-cyclopropyl-5-methyl-1-[3-(oxolan-2-yl)propyl]-2-propan-2-ylpiperazine
CID 65170486
5-cyclopropyl-5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934750
2-butan-2-yl-5-cyclopropyl-5-methyl-1-propylpiperazine
CID 64876547
5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298458
4-methyl-2-[2-(8-propan-2-yl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64940220

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64940605) is 2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole is CC(C)C1CNC(C)(C2CC2)CN1CCc1nccs1.
What is the InChIKey of 2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is OZRYIDXWNRKXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12(2)14-10-18-16(3,13-4-5-13)11-19(14)8-6-15-17-7-9-20-15/h7,9,12-14,18H,4-6,8,10-11H2,1-3H3.
What are the key properties of 2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole?
2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 293.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64940605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).