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

C7H12N2OS — CID 63312549

IUPAC3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one
SMILESCCNCCn1ccsc1=O
InChIInChI=1S/C7H12N2OS/c1-2-8-3-4-9-5-6-11-7(9)10/h5-6,8H,2-4H2,1H3
InChIKeyAVMRXMVBYCLRFO-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.52
Rot. Bonds4

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

3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one (PubChem CID 63312549) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one
PubChem CID63312549
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one
SMILESCCNCCn1ccsc1=O
InChIInChI=1S/C7H12N2OS/c1-2-8-3-4-9-5-6-11-7(9)10/h5-6,8H,2-4H2,1H3
InChIKeyAVMRXMVBYCLRFO-UHFFFAOYSA-N
XLogP0.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
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 3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one (CID 63312549) is 3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one is CCNCCn1ccsc1=O.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one?
The InChIKey is AVMRXMVBYCLRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-8-3-4-9-5-6-11-7(9)10/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one?
3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one has a molecular weight of 172.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63312549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).