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

C9H17N3OS — CID 106381783

IUPAC4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNC(C)(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H17N3OS/c1-9(2,10-3)6-11-4-7-5-14-8(13)12-7/h5,10-11H,4,6H2,1-3H3,(H,12,13)
InChIKeyFGWOFGPPTXBPFV-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.52
Rot. Bonds5

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

4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381783) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381783
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCNC(C)(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H17N3OS/c1-9(2,10-3)6-11-4-7-5-14-8(13)12-7/h5,10-11H,4,6H2,1-3H3,(H,12,13)
InChIKeyFGWOFGPPTXBPFV-UHFFFAOYSA-N
XLogP0.52
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106381783) is 4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one is CNC(C)(C)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FGWOFGPPTXBPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-9(2,10-3)6-11-4-7-5-14-8(13)12-7/h5,10-11H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 215.32 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-methyl-2-(methylamino)propyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).