3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one

C8H14N2OS — CID 114526781

IUPAC3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one
SMILESCN(C)CCCn1ccsc1=O
InChIInChI=1S/C8H14N2OS/c1-9(2)4-3-5-10-6-7-12-8(10)11/h6-7H,3-5H2,1-2H3
InChIKeyJSJHOAKZRHJXAM-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.86
Rot. Bonds4

About 3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one

3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one (PubChem CID 114526781) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one
PubChem CID114526781
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one
SMILESCN(C)CCCn1ccsc1=O
InChIInChI=1S/C8H14N2OS/c1-9(2)4-3-5-10-6-7-12-8(10)11/h6-7H,3-5H2,1-2H3
InChIKeyJSJHOAKZRHJXAM-UHFFFAOYSA-N
XLogP0.86
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one (CID 114526781) is 3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one is CN(C)CCCn1ccsc1=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one?
The InChIKey is JSJHOAKZRHJXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-9(2)4-3-5-10-6-7-12-8(10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one?
3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-1,3-thiazol-2-one is sourced from PubChem (CID 114526781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).