[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

C15H22N6O2S — CID 118761146

IUPAC[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCCNc1nc(C)c(C(=O)N2CCN(Cc3nonc3C)CC2)s1
InChIInChI=1S/C15H22N6O2S/c1-4-16-15-17-11(3)13(24-15)14(22)21-7-5-20(6-8-21)9-12-10(2)18-23-19-12/h4-9H2,1-3H3,(H,16,17)
InChIKeyBWHPNEGURRNKPU-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.53
Rot. Bonds5

About [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 118761146) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID118761146
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCCNc1nc(C)c(C(=O)N2CCN(Cc3nonc3C)CC2)s1
InChIInChI=1S/C15H22N6O2S/c1-4-16-15-17-11(3)13(24-15)14(22)21-7-5-20(6-8-21)9-12-10(2)18-23-19-12/h4-9H2,1-3H3,(H,16,17)
InChIKeyBWHPNEGURRNKPU-UHFFFAOYSA-N
XLogP1.53
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 91833350
3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid
CID 91946677
(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97137582
3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
CID 130158026
(4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 30142487
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 166270136
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
CID 130629090
[2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 110085274
1-[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 110387071
ethyl 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 107877685
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 91946588

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (CID 118761146) is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is CCNc1nc(C)c(C(=O)N2CCN(Cc3nonc3C)CC2)s1.
What is the InChIKey of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is BWHPNEGURRNKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-4-16-15-17-11(3)13(24-15)14(22)21-7-5-20(6-8-21)9-12-10(2)18-23-19-12/h4-9H2,1-3H3,(H,16,17).
What are the key properties of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 350.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118761146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).