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

C6H10N2OS — CID 63312602

IUPAC3-[2-(methylamino)ethyl]-1,3-thiazol-2-one
SMILESCNCCn1ccsc1=O
InChIInChI=1S/C6H10N2OS/c1-7-2-3-8-4-5-10-6(8)9/h4-5,7H,2-3H2,1H3
InChIKeyQXPJEYREZWQELW-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.13
Rot. Bonds3

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

3-[2-(methylamino)ethyl]-1,3-thiazol-2-one (PubChem CID 63312602) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl]-1,3-thiazol-2-one
PubChem CID63312602
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-[2-(methylamino)ethyl]-1,3-thiazol-2-one
SMILESCNCCn1ccsc1=O
InChIInChI=1S/C6H10N2OS/c1-7-2-3-8-4-5-10-6(8)9/h4-5,7H,2-3H2,1H3
InChIKeyQXPJEYREZWQELW-UHFFFAOYSA-N
XLogP0.13
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(methylamino)ethyl]-1,3-thiazol-2-one (CID 63312602) is 3-[2-(methylamino)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(methylamino)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(methylamino)ethyl]-1,3-thiazol-2-one is CNCCn1ccsc1=O.
What is the InChIKey of 3-[2-(methylamino)ethyl]-1,3-thiazol-2-one?
The InChIKey is QXPJEYREZWQELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-7-2-3-8-4-5-10-6(8)9/h4-5,7H,2-3H2,1H3.
What are the key properties of 3-[2-(methylamino)ethyl]-1,3-thiazol-2-one?
3-[2-(methylamino)ethyl]-1,3-thiazol-2-one has a molecular weight of 158.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63312602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).