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

C15H27N3S — CID 106043394

IUPAC4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CC(C)(C)NCC2C(C)C)cs1
InChIInChI=1S/C15H27N3S/c1-11(2)14-8-16-15(4,5)10-18(14)7-6-13-9-19-12(3)17-13/h9,11,14,16H,6-8,10H2,1-5H3
InChIKeyCOBSAMYPYKBNRH-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.70
Rot. Bonds4

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

4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole (PubChem CID 106043394) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
PubChem CID106043394
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CC(C)(C)NCC2C(C)C)cs1
InChIInChI=1S/C15H27N3S/c1-11(2)14-8-16-15(4,5)10-18(14)7-6-13-9-19-12(3)17-13/h9,11,14,16H,6-8,10H2,1-5H3
InChIKeyCOBSAMYPYKBNRH-UHFFFAOYSA-N
XLogP2.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 106043362
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
2-methyl-4-[2-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 106043593
2-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941574
2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64939834
4-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043580
1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840082
5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64941846
4-[2-(6,10-diazaspiro[4.6]undecan-10-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043606
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one
CID 106042327
1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 82924761
2-methyl-4-[2-(10-propan-2-yl-3-azaspiro[5.5]undecan-3-yl)ethyl]-1,3-thiazole
CID 155632192

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole (CID 106043394) is 4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCN2CC(C)(C)NCC2C(C)C)cs1.
What is the InChIKey of 4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
The InChIKey is COBSAMYPYKBNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11(2)14-8-16-15(4,5)10-18(14)7-6-13-9-19-12(3)17-13/h9,11,14,16H,6-8,10H2,1-5H3.
What are the key properties of 4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole?
4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 106043394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).