2-[2-(methylamino)ethyl]-1,3-thiazol-4-one

C6H10N2OS — CID 164644186

IUPAC2-[2-(methylamino)ethyl]-1,3-thiazol-4-one
SMILESCNCCC1=NC(=O)CS1
InChIInChI=1S/C6H10N2OS/c1-7-3-2-6-8-5(9)4-10-6/h7H,2-4H2,1H3
InChIKeyIFUFGCCDIOTBFG-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.27
Rot. Bonds3

About 2-[2-(methylamino)ethyl]-1,3-thiazol-4-one

2-[2-(methylamino)ethyl]-1,3-thiazol-4-one (PubChem CID 164644186) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-1,3-thiazol-4-one
PubChem CID164644186
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-[2-(methylamino)ethyl]-1,3-thiazol-4-one
SMILESCNCCC1=NC(=O)CS1
InChIInChI=1S/C6H10N2OS/c1-7-3-2-6-8-5(9)4-10-6/h7H,2-4H2,1H3
InChIKeyIFUFGCCDIOTBFG-UHFFFAOYSA-N
XLogP0.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-1,3-thiazol-4-one?
The IUPAC name of 2-[2-(methylamino)ethyl]-1,3-thiazol-4-one (CID 164644186) is 2-[2-(methylamino)ethyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[2-(methylamino)ethyl]-1,3-thiazol-4-one is CNCCC1=NC(=O)CS1.
What is the InChIKey of 2-[2-(methylamino)ethyl]-1,3-thiazol-4-one?
The InChIKey is IFUFGCCDIOTBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-7-3-2-6-8-5(9)4-10-6/h7H,2-4H2,1H3.
What are the key properties of 2-[2-(methylamino)ethyl]-1,3-thiazol-4-one?
2-[2-(methylamino)ethyl]-1,3-thiazol-4-one has a molecular weight of 158.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-1,3-thiazol-4-one is sourced from PubChem (CID 164644186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).