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

C15H28N4S — CID 62764109

IUPACN-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(N2CCN(CC)CC2)sc1CNCC
InChIInChI=1S/C15H28N4S/c1-4-7-13-14(12-16-5-2)20-15(17-13)19-10-8-18(6-3)9-11-19/h16H,4-12H2,1-3H3
InChIKeySXKFKDOCCYQHBW-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.35
Rot. Bonds7

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

N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62764109) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62764109
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(N2CCN(CC)CC2)sc1CNCC
InChIInChI=1S/C15H28N4S/c1-4-7-13-14(12-16-5-2)20-15(17-13)19-10-8-18(6-3)9-11-19/h16H,4-12H2,1-3H3
InChIKeySXKFKDOCCYQHBW-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55112709
N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121
N-[[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 63619349
N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766055
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103540376
N-[[4-ethyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763950
N-[[4-propyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114540518
N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82427959
N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107395753
1-[5-(ethylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464775
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62752073
N-[[2-(4-methylazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63627201

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 62764109) is N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(N2CCN(CC)CC2)sc1CNCC.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is SXKFKDOCCYQHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-4-7-13-14(12-16-5-2)20-15(17-13)19-10-8-18(6-3)9-11-19/h16H,4-12H2,1-3H3.
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 296.48 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62764109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).