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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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).