4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one

C13H20N4OS — CID 63605835

IUPAC4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1ncc(CNC2CC2)s1
InChIInChI=1S/C13H20N4OS/c1-13(2)11(18)14-5-6-17(13)12-16-8-10(19-12)7-15-9-3-4-9/h8-9,15H,3-7H2,1-2H3,(H,14,18)
InChIKeyLOOMGZLHXGTVDK-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.11
Rot. Bonds4

About 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one

4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one (PubChem CID 63605835) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one
PubChem CID63605835
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1ncc(CNC2CC2)s1
InChIInChI=1S/C13H20N4OS/c1-13(2)11(18)14-5-6-17(13)12-16-8-10(19-12)7-15-9-3-4-9/h8-9,15H,3-7H2,1-2H3,(H,14,18)
InChIKeyLOOMGZLHXGTVDK-UHFFFAOYSA-N
XLogP1.11
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione
CID 66062982
N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55112409
N-[[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62931356
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55113480
4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-3,3-dimethylpiperazin-2-one
CID 63605987
N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62751766
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79184432
3,3-dimethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazine-2,6-dione
CID 66075809
4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 62750903
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82751675
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62755147
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one (CID 63605835) is 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1ncc(CNC2CC2)s1.
What is the InChIKey of 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one?
The InChIKey is LOOMGZLHXGTVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-13(2)11(18)14-5-6-17(13)12-16-8-10(19-12)7-15-9-3-4-9/h8-9,15H,3-7H2,1-2H3,(H,14,18).
What are the key properties of 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one?
4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one has a molecular weight of 280.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63605835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).