4-(ethylaminomethyl)-3H-1,3-thiazol-2-one

C6H10N2OS — CID 81463363

IUPAC4-(ethylaminomethyl)-3H-1,3-thiazol-2-one
SMILESCCNCc1csc(=O)[nH]1
InChIInChI=1S/C6H10N2OS/c1-2-7-3-5-4-10-6(9)8-5/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyRKCQHLCIYOZNNK-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.55
Rot. Bonds3

About 4-(ethylaminomethyl)-3H-1,3-thiazol-2-one

4-(ethylaminomethyl)-3H-1,3-thiazol-2-one (PubChem CID 81463363) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(ethylaminomethyl)-3H-1,3-thiazol-2-one
PubChem CID81463363
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name4-(ethylaminomethyl)-3H-1,3-thiazol-2-one
SMILESCCNCc1csc(=O)[nH]1
InChIInChI=1S/C6H10N2OS/c1-2-7-3-5-4-10-6(9)8-5/h4,7H,2-3H2,1H3,(H,8,9)
InChIKeyRKCQHLCIYOZNNK-UHFFFAOYSA-N
XLogP0.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(ethylaminomethyl)-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-(ethylaminomethyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(ethylaminomethyl)-3H-1,3-thiazol-2-one (CID 81463363) is 4-(ethylaminomethyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(ethylaminomethyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(ethylaminomethyl)-3H-1,3-thiazol-2-one is CCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-(ethylaminomethyl)-3H-1,3-thiazol-2-one?
The InChIKey is RKCQHLCIYOZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-2-7-3-5-4-10-6(9)8-5/h4,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 4-(ethylaminomethyl)-3H-1,3-thiazol-2-one?
4-(ethylaminomethyl)-3H-1,3-thiazol-2-one has a molecular weight of 158.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 81463363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).