4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one

C8H15N3OS — CID 106381077

IUPAC4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCN(C)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C8H15N3OS/c1-11(2)4-3-9-5-7-6-13-8(12)10-7/h6,9H,3-5H2,1-2H3,(H,10,12)
InChIKeySWOIOBVQHINMMP-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.09
Rot. Bonds5

About 4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381077) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381077
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCN(C)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C8H15N3OS/c1-11(2)4-3-9-5-7-6-13-8(12)10-7/h6,9H,3-5H2,1-2H3,(H,10,12)
InChIKeySWOIOBVQHINMMP-UHFFFAOYSA-N
XLogP0.09
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381077) is 4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one is CN(C)CCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SWOIOBVQHINMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-11(2)4-3-9-5-7-6-13-8(12)10-7/h6,9H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).