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

C12H22N2OS — CID 106380771

IUPAC4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCCCC(CC)CNCc1csc(=O)[nH]1
InChIInChI=1S/C12H22N2OS/c1-3-5-6-10(4-2)7-13-8-11-9-16-12(15)14-11/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyGNMQGUHZEZIAHR-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.74
Rot. Bonds8

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

4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380771) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380771
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCCCC(CC)CNCc1csc(=O)[nH]1
InChIInChI=1S/C12H22N2OS/c1-3-5-6-10(4-2)7-13-8-11-9-16-12(15)14-11/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyGNMQGUHZEZIAHR-UHFFFAOYSA-N
XLogP2.74
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-ethylhexylamino)methyl]-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-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380771) is 4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one is CCCCC(CC)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GNMQGUHZEZIAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-5-6-10(4-2)7-13-8-11-9-16-12(15)14-11/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 242.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylhexylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).