3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one

C14H24N4OS — CID 120982924

IUPAC3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
SMILESCCc1cnc(CN(C)CCC(=O)N2CCNCC2)s1
InChIInChI=1S/C14H24N4OS/c1-3-12-10-16-13(20-12)11-17(2)7-4-14(19)18-8-5-15-6-9-18/h10,15H,3-9,11H2,1-2H3
InChIKeyXNIDKLFKHQVKFD-UHFFFAOYSA-N
MW296.44 g/mol
LogP0.96
Rot. Bonds6

About 3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one

3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982924) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
PubChem CID120982924
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
SMILESCCc1cnc(CN(C)CCC(=O)N2CCNCC2)s1
InChIInChI=1S/C14H24N4OS/c1-3-12-10-16-13(20-12)11-17(2)7-4-14(19)18-8-5-15-6-9-18/h10,15H,3-9,11H2,1-2H3
InChIKeyXNIDKLFKHQVKFD-UHFFFAOYSA-N
XLogP0.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982556
3-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982769
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
3-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982759
3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39162008
3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62543752
3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 120982786
3-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981009
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one (CID 120982924) is 3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one is CCc1cnc(CN(C)CCC(=O)N2CCNCC2)s1.
What is the InChIKey of 3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is XNIDKLFKHQVKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-12-10-16-13(20-12)11-17(2)7-4-14(19)18-8-5-15-6-9-18/h10,15H,3-9,11H2,1-2H3.
What are the key properties of 3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 296.44 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).