1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine

C14H27N5S — CID 64544580

IUPAC1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C14H27N5S/c1-12(15-2)13-11-20-14(16-13)19-9-7-18(8-10-19)6-5-17(3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyIBSOXHJFDRGQNM-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.11
Rot. Bonds6

About 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 64544580) has the molecular formula C14H27N5S and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID64544580
Molecular FormulaC14H27N5S
Molecular Weight297.47 g/mol
Exact Mass297.20
IUPAC Name1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C14H27N5S/c1-12(15-2)13-11-20-14(16-13)19-9-7-18(8-10-19)6-5-17(3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyIBSOXHJFDRGQNM-UHFFFAOYSA-N
XLogP1.11
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine (CID 64544580) is 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine is CNC(C)c1csc(N2CCN(CCN(C)C)CC2)n1.
What is the InChIKey of 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is IBSOXHJFDRGQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5S/c1-12(15-2)13-11-20-14(16-13)19-9-7-18(8-10-19)6-5-17(3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 297.47 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 64544580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).