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

C17H31N3S — CID 64940221

IUPAC2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CCN2CC(C(C)(C)C)NCC2C(C)C)n1
InChIInChI=1S/C17H31N3S/c1-12(2)14-9-18-15(17(4,5)6)10-20(14)8-7-16-19-13(3)11-21-16/h11-12,14-15,18H,7-10H2,1-6H3
InChIKeyDHENZLAFZUDBMN-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.34
Rot. Bonds4

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

2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole (PubChem CID 64940221) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
PubChem CID64940221
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CCN2CC(C(C)(C)C)NCC2C(C)C)n1
InChIInChI=1S/C17H31N3S/c1-12(2)14-9-18-15(17(4,5)6)10-20(14)8-7-16-19-13(3)11-21-16/h11-12,14-15,18H,7-10H2,1-6H3
InChIKeyDHENZLAFZUDBMN-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole (CID 64940221) is 2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole is Cc1csc(CCN2CC(C(C)(C)C)NCC2C(C)C)n1.
What is the InChIKey of 2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
The InChIKey is DHENZLAFZUDBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-12(2)14-9-18-15(17(4,5)6)10-20(14)8-7-16-19-13(3)11-21-16/h11-12,14-15,18H,7-10H2,1-6H3.
What are the key properties of 2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole has a molecular weight of 309.52 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64940221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).