3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one

C14H24N4OS — CID 70742063

IUPAC3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1Cc1csc(NC)n1
InChIInChI=1S/C14H24N4OS/c1-4-5-6-12-13(19)17(3)7-8-18(12)9-11-10-20-14(15-2)16-11/h10,12H,4-9H2,1-3H3,(H,15,16)
InChIKeyVUDMHRMSZFSVRG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.02
Rot. Bonds6

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

3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one (PubChem CID 70742063) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one
PubChem CID70742063
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1Cc1csc(NC)n1
InChIInChI=1S/C14H24N4OS/c1-4-5-6-12-13(19)17(3)7-8-18(12)9-11-10-20-14(15-2)16-11/h10,12H,4-9H2,1-3H3,(H,15,16)
InChIKeyVUDMHRMSZFSVRG-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one (CID 70742063) is 3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one is CCCCC1C(=O)N(C)CCN1Cc1csc(NC)n1.
What is the InChIKey of 3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one?
The InChIKey is VUDMHRMSZFSVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-5-6-12-13(19)17(3)7-8-18(12)9-11-10-20-14(15-2)16-11/h10,12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one?
3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one has a molecular weight of 296.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 70742063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).