5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole

C16H29N3S — CID 64947821

IUPAC5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C(C)N2CC(C(C)(C)C)NCC2C)s1
InChIInChI=1S/C16H29N3S/c1-10-8-17-14(16(5,6)7)9-19(10)12(3)15-11(2)18-13(4)20-15/h10,12,14,17H,8-9H2,1-7H3
InChIKeyJQHZHOADIIHEOO-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.53
Rot. Bonds2

About 5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole

5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 64947821) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
PubChem CID64947821
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C(C)N2CC(C(C)(C)C)NCC2C)s1
InChIInChI=1S/C16H29N3S/c1-10-8-17-14(16(5,6)7)9-19(10)12(3)15-11(2)18-13(4)20-15/h10,12,14,17H,8-9H2,1-7H3
InChIKeyJQHZHOADIIHEOO-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64947629
2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64939349
5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 63863300
5-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 66213330
5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64947244
2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64948206
5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine
CID 114129890
[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959869
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid
CID 65072203
5-tert-butyl-2-methyl-1-pent-1-yn-3-ylpiperazine
CID 106224574
N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511650
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione
CID 54962558

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole (CID 64947821) is 5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(C(C)N2CC(C(C)(C)C)NCC2C)s1.
What is the InChIKey of 5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is JQHZHOADIIHEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-10-8-17-14(16(5,6)7)9-19(10)12(3)15-11(2)18-13(4)20-15/h10,12,14,17H,8-9H2,1-7H3.
What are the key properties of 5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 295.50 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 64947821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).