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

C14H26N4S — CID 55215655

IUPACN-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCN(CC)C(C)C2)nc1C
InChIInChI=1S/C14H26N4S/c1-5-15-9-13-12(4)16-14(19-13)18-8-7-17(6-2)11(3)10-18/h11,15H,5-10H2,1-4H3
InChIKeyJACZAHSRZCHXAF-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.09
Rot. Bonds5

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

N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 55215655) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID55215655
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCN(CC)C(C)C2)nc1C
InChIInChI=1S/C14H26N4S/c1-5-15-9-13-12(4)16-14(19-13)18-8-7-17(6-2)11(3)10-18/h11,15H,5-10H2,1-4H3
InChIKeyJACZAHSRZCHXAF-UHFFFAOYSA-N
XLogP2.09
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Dimethyl-1,3-thiazol-2-yl)piperazine
CID 19915765
1-[(2S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]-N-methylmethanamine
CID 137955827
1-(4-Methyl-5-trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100177
4-Methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole
CID 21100178
1-(5-Methyl-4-trifluoromethyl-thiazol-2-yl)-piperazine
CID 21100189
2-(4-Ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 58459811
2-(4-Methylpiperazin-1-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
CID 91064014
N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117368
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117415
5-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117845
5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117891
N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117893

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 55215655) is N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CCN(CC)C(C)C2)nc1C.
What is the InChIKey of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is JACZAHSRZCHXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-5-15-9-13-12(4)16-14(19-13)18-8-7-17(6-2)11(3)10-18/h11,15H,5-10H2,1-4H3.
What are the key properties of N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 282.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 55215655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).