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

C15H28N4S — CID 82430785

IUPACN-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCN2CCN(C)CC2)nc1CC
InChIInChI=1S/C15H28N4S/c1-4-13-14(12-16-5-2)20-15(17-13)6-7-19-10-8-18(3)9-11-19/h16H,4-12H2,1-3H3
InChIKeyCNUISDCAHMSAEQ-UHFFFAOYSA-N
MW296.48 g/mol
LogP1.60
Rot. Bonds7

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

N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82430785) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82430785
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCN2CCN(C)CC2)nc1CC
InChIInChI=1S/C15H28N4S/c1-4-13-14(12-16-5-2)20-15(17-13)6-7-19-10-8-18(3)9-11-19/h16H,4-12H2,1-3H3
InChIKeyCNUISDCAHMSAEQ-UHFFFAOYSA-N
XLogP1.60
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430831
N-[[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430699
[4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82430799
N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
CID 82433121
N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430768
N-[[2-(cyclopropylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841273
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
2-[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82430708
[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82441695
N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82435477
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82433170

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 82430785) is N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CCN2CCN(C)CC2)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is CNUISDCAHMSAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-4-13-14(12-16-5-2)20-15(17-13)6-7-19-10-8-18(3)9-11-19/h16H,4-12H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 296.48 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82430785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).