4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one

C9H16N2OS — CID 64231688

IUPAC4-methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one
SMILESCC1=CSC(=O)N1CC(C)CNC
InChIInChI=1S/C9H16N2OS/c1-7(4-10-3)5-11-8(2)6-13-9(11)12/h6-7,10H,4-5H2,1-3H3
InChIKeyNSSJMWGFFYISTL-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.20
Rot. Bonds4

About 4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one

4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one (PubChem CID 64231688) has the molecular formula C9H16N2OS and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one
PubChem CID64231688
Molecular FormulaC9H16N2OS
Molecular Weight200.30 g/mol
Exact Mass200.10
IUPAC Name4-methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one
SMILESCC1=CSC(=O)N1CC(C)CNC
InChIInChI=1S/C9H16N2OS/c1-7(4-10-3)5-11-8(2)6-13-9(11)12/h6-7,10H,4-5H2,1-3H3
InChIKeyNSSJMWGFFYISTL-UHFFFAOYSA-N
XLogP1.20
TPSA57.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity228

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one?
The IUPAC name of 4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one (CID 64231688) is 4-methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one is CC1=CSC(=O)N1CC(C)CNC.
What is the InChIKey of 4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one?
The InChIKey is NSSJMWGFFYISTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(4-10-3)5-11-8(2)6-13-9(11)12/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one?
4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one has a molecular weight of 200.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one is sourced from PubChem (CID 64231688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).