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

C14H26N4S — CID 55116776

IUPACN-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCN(CC(C)C)CC2)s1
InChIInChI=1S/C14H26N4S/c1-4-15-9-13-10-16-14(19-13)18-7-5-17(6-8-18)11-12(2)3/h10,12,15H,4-9,11H2,1-3H3
InChIKeyHNKGVOCMDRRQJI-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.03
Rot. Bonds6

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

N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 55116776) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID55116776
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCN(CC(C)C)CC2)s1
InChIInChI=1S/C14H26N4S/c1-4-15-9-13-10-16-14(19-13)18-7-5-17(6-8-18)11-12(2)3/h10,12,15H,4-9,11H2,1-3H3
InChIKeyHNKGVOCMDRRQJI-UHFFFAOYSA-N
XLogP2.03
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 55116776) is N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(N2CCN(CC(C)C)CC2)s1.
What is the InChIKey of N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is HNKGVOCMDRRQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-15-9-13-10-16-14(19-13)18-7-5-17(6-8-18)11-12(2)3/h10,12,15H,4-9,11H2,1-3H3.
What are the key properties of N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 282.46 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 55116776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).