N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine

C14H26N4S — CID 114540452

IUPACN-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(N2CC(C)N(C)C(C)C2)s1
InChIInChI=1S/C14H26N4S/c1-6-15-12(4)13-7-16-14(19-13)18-8-10(2)17(5)11(3)9-18/h7,10-12,15H,6,8-9H2,1-5H3
InChIKeyIYICMJAVHPTHKB-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.34
Rot. Bonds4

About N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine

N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 114540452) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID114540452
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(N2CC(C)N(C)C(C)C2)s1
InChIInChI=1S/C14H26N4S/c1-6-15-12(4)13-7-16-14(19-13)18-8-10(2)17(5)11(3)9-18/h7,10-12,15H,6,8-9H2,1-5H3
InChIKeyIYICMJAVHPTHKB-UHFFFAOYSA-N
XLogP2.34
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 114540452) is N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1cnc(N2CC(C)N(C)C(C)C2)s1.
What is the InChIKey of N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is IYICMJAVHPTHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-6-15-12(4)13-7-16-14(19-13)18-8-10(2)17(5)11(3)9-18/h7,10-12,15H,6,8-9H2,1-5H3.
What are the key properties of N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 282.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 114540452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).