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

C12H22N4O2S2 — CID 63002607

IUPAC[2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCN(S(C)(=O)=O)CC2)sc1CN
InChIInChI=1S/C12H22N4O2S2/c1-3-4-10-11(9-13)19-12(14-10)15-5-7-16(8-6-15)20(2,17)18/h3-9,13H2,1-2H3
InChIKeyCNUQBLOGTHNIQI-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.64
Rot. Bonds5

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

[2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 63002607) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is [2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID63002607
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name[2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCN(S(C)(=O)=O)CC2)sc1CN
InChIInChI=1S/C12H22N4O2S2/c1-3-4-10-11(9-13)19-12(14-10)15-5-7-16(8-6-15)20(2,17)18/h3-9,13H2,1-2H3
InChIKeyCNUQBLOGTHNIQI-UHFFFAOYSA-N
XLogP0.64
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766388
2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889258
[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62767664
[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55215656
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 104961227
[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55117413
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 65322070
[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
[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62777571
[2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361240
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 63002607) is [2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(N2CCN(S(C)(=O)=O)CC2)sc1CN.
What is the InChIKey of [2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is CNUQBLOGTHNIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-3-4-10-11(9-13)19-12(14-10)15-5-7-16(8-6-15)20(2,17)18/h3-9,13H2,1-2H3.
What are the key properties of [2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 318.47 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63002607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).