2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one

C14H24N4OS — CID 119864313

IUPAC2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCCc1nc(CN2CCN(C(=O)C(C)(C)N)CC2)cs1
InChIInChI=1S/C14H24N4OS/c1-4-12-16-11(10-20-12)9-17-5-7-18(8-6-17)13(19)14(2,3)15/h10H,4-9,15H2,1-3H3
InChIKeyAEOSDEFHKDPOBM-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.09
Rot. Bonds4

About 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one

2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 119864313) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID119864313
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCCc1nc(CN2CCN(C(=O)C(C)(C)N)CC2)cs1
InChIInChI=1S/C14H24N4OS/c1-4-12-16-11(10-20-12)9-17-5-7-18(8-6-17)13(19)14(2,3)15/h10H,4-9,15H2,1-3H3
InChIKeyAEOSDEFHKDPOBM-UHFFFAOYSA-N
XLogP1.09
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 61265442
2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 119864315
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 79805846
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 132969827
(E)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 60578284
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120799077
3-(2-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 120612711
6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 56798848
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119864336
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119864358
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120645379
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 119864369

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one (CID 119864313) is 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one is CCc1nc(CN2CCN(C(=O)C(C)(C)N)CC2)cs1.
What is the InChIKey of 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is AEOSDEFHKDPOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-12-16-11(10-20-12)9-17-5-7-18(8-6-17)13(19)14(2,3)15/h10H,4-9,15H2,1-3H3.
What are the key properties of 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 296.44 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 119864313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).