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

C8H14N2OS — CID 81463188

IUPAC4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one
SMILESCCCNC(C)c1csc(=O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-3-4-9-6(2)7-5-12-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyJQJVPILSNKCWIM-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.50
Rot. Bonds4

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

4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one (PubChem CID 81463188) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one
PubChem CID81463188
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one
SMILESCCCNC(C)c1csc(=O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-3-4-9-6(2)7-5-12-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyJQJVPILSNKCWIM-UHFFFAOYSA-N
XLogP1.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one (CID 81463188) is 4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one is CCCNC(C)c1csc(=O)[nH]1.
What is the InChIKey of 4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one?
The InChIKey is JQJVPILSNKCWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-4-9-6(2)7-5-12-8(11)10-7/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one?
4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 81463188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).