2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one

C14H24N4OS — CID 65227101

IUPAC2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
SMILESCCC(CN)C(=O)N1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C14H24N4OS/c1-3-12(8-15)14(19)18-6-4-17(5-7-18)9-13-10-20-11(2)16-13/h10,12H,3-9,15H2,1-2H3
InChIKeyCBVOIYZPJZLDQF-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.08
Rot. Bonds5

About 2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one

2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one (PubChem CID 65227101) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
PubChem CID65227101
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
SMILESCCC(CN)C(=O)N1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C14H24N4OS/c1-3-12(8-15)14(19)18-6-4-17(5-7-18)9-13-10-20-11(2)16-13/h10,12H,3-9,15H2,1-2H3
InChIKeyCBVOIYZPJZLDQF-UHFFFAOYSA-N
XLogP1.08
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pentan-1-one
CID 60963815
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54872835
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119112229
2-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 62636980
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 79805846
3-amino-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-oxobutanamide;trihydrochloride
CID 119955642
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 61265442
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119399469
(2S)-2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;trihydrochloride
CID 119399480
2-(dimethylamino)-2-(4-methylphenyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 72859084
3-chloro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54875385
4-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pentan-1-one
CID 79205083

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one (CID 65227101) is 2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one is CCC(CN)C(=O)N1CCN(Cc2csc(C)n2)CC1.
What is the InChIKey of 2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one?
The InChIKey is CBVOIYZPJZLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-12(8-15)14(19)18-6-4-17(5-7-18)9-13-10-20-11(2)16-13/h10,12H,3-9,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one?
2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one has a molecular weight of 296.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 65227101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).