[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine

C14H26N4S — CID 55215656

IUPAC[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCN(C)C(CC)C2)sc1CN
InChIInChI=1S/C14H26N4S/c1-4-6-12-13(9-15)19-14(16-12)18-8-7-17(3)11(5-2)10-18/h11H,4-10,15H2,1-3H3
InChIKeyAPKTTZZTCHAINA-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.08
Rot. Bonds5

About [2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 55215656) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is [2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID55215656
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCN(C)C(CC)C2)sc1CN
InChIInChI=1S/C14H26N4S/c1-4-6-12-13(9-15)19-14(16-12)18-8-7-17(3)11(5-2)10-18/h11H,4-10,15H2,1-3H3
InChIKeyAPKTTZZTCHAINA-UHFFFAOYSA-N
XLogP2.08
TPSA45.39 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 63619349
[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55117413
[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766388
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 104961227
2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889258
[2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 63002607
[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62767664
[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63619362
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63619690
5-(3-ethyl-4-methylpiperazin-1-yl)-1-methyl-3-propylpyrazol-4-amine
CID 66018899
[5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol
CID 167838202
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 102728727

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 55215656) is [2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(N2CCN(C)C(CC)C2)sc1CN.
What is the InChIKey of [2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is APKTTZZTCHAINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-6-12-13(9-15)19-14(16-12)18-8-7-17(3)11(5-2)10-18/h11H,4-10,15H2,1-3H3.
What are the key properties of [2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 282.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 55215656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).