[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine

C14H26N4S — CID 62777571

IUPAC[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(N2CCN(CC(C)C)CC2)sc1CN
InChIInChI=1S/C14H26N4S/c1-4-12-13(9-15)19-14(16-12)18-7-5-17(6-8-18)10-11(2)3/h11H,4-10,15H2,1-3H3
InChIKeyANLCAOFWLIAWIY-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.94
Rot. Bonds5

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

[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 62777571) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID62777571
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(N2CCN(CC(C)C)CC2)sc1CN
InChIInChI=1S/C14H26N4S/c1-4-12-13(9-15)19-14(16-12)18-7-5-17(6-8-18)10-11(2)3/h11H,4-10,15H2,1-3H3
InChIKeyANLCAOFWLIAWIY-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 63916433
2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889258
1-[4-ethyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82431056
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 115562457
[2-(2,6-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 62766514
2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine
CID 102768331
[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766388
[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62769335
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510269
[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62765484
[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764111
N-[[4-ethyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763950

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine (CID 62777571) is [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine is CCc1nc(N2CCN(CC(C)C)CC2)sc1CN.
What is the InChIKey of [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is ANLCAOFWLIAWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-12-13(9-15)19-14(16-12)18-7-5-17(6-8-18)10-11(2)3/h11H,4-10,15H2,1-3H3.
What are the key properties of [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 282.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62777571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).