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

C14H25N3S — CID 64939349

IUPAC2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCC1CNC(C(C)(C)C)CN1C(C)c1nccs1
InChIInChI=1S/C14H25N3S/c1-10-8-16-12(14(3,4)5)9-17(10)11(2)13-15-6-7-18-13/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyROPSSLSYOQPNTJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.91
Rot. Bonds2

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

2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64939349) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64939349
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCC1CNC(C(C)(C)C)CN1C(C)c1nccs1
InChIInChI=1S/C14H25N3S/c1-10-8-16-12(14(3,4)5)9-17(10)11(2)13-15-6-7-18-13/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyROPSSLSYOQPNTJ-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64939349) is 2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole is CC1CNC(C(C)(C)C)CN1C(C)c1nccs1.
What is the InChIKey of 2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is ROPSSLSYOQPNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10-8-16-12(14(3,4)5)9-17(10)11(2)13-15-6-7-18-13/h6-7,10-12,16H,8-9H2,1-5H3.
What are the key properties of 2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole?
2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64939349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).