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

C16H29N3S — CID 106043362

IUPAC4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CC(C(C)C)NCC2C(C)C)cs1
InChIInChI=1S/C16H29N3S/c1-11(2)15-9-19(16(8-17-15)12(3)4)7-6-14-10-20-13(5)18-14/h10-12,15-17H,6-9H2,1-5H3
InChIKeyVGQRTGTYKMGQQT-UHFFFAOYSA-N
MW295.50 g/mol
LogP2.95
Rot. Bonds5

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

4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole (PubChem CID 106043362) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
PubChem CID106043362
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CC(C(C)C)NCC2C(C)C)cs1
InChIInChI=1S/C16H29N3S/c1-11(2)15-9-19(16(8-17-15)12(3)4)7-6-14-10-20-13(5)18-14/h10-12,15-17H,6-9H2,1-5H3
InChIKeyVGQRTGTYKMGQQT-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043394
4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043580
1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine
CID 64953673
4-[2-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043590
2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 106043488
5-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016484
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136908739
1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine
CID 82249272
2-methyl-4-[2-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 106043593
4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 124752649
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one
CID 106042327

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole (CID 106043362) is 4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCN2CC(C(C)C)NCC2C(C)C)cs1.
What is the InChIKey of 4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is VGQRTGTYKMGQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-11(2)15-9-19(16(8-17-15)12(3)4)7-6-14-10-20-13(5)18-14/h10-12,15-17H,6-9H2,1-5H3.
What are the key properties of 4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole?
4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 295.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 106043362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).