1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone

C7H10N2OS — CID 13485346

IUPAC1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
SMILESCCc1nc(N)sc1C(C)=O
InChIInChI=1S/C7H10N2OS/c1-3-5-6(4(2)10)11-7(8)9-5/h3H2,1-2H3,(H2,8,9)
InChIKeyXSOPWSQDEZXMFR-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.49
Rot. Bonds2

About 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone

1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone (PubChem CID 13485346) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
PubChem CID13485346
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
SMILESCCc1nc(N)sc1C(C)=O
InChIInChI=1S/C7H10N2OS/c1-3-5-6(4(2)10)11-7(8)9-5/h3H2,1-2H3,(H2,8,9)
InChIKeyXSOPWSQDEZXMFR-UHFFFAOYSA-N
XLogP1.49
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone 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 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone (CID 13485346) is 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone is CCc1nc(N)sc1C(C)=O.
What is the InChIKey of 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is XSOPWSQDEZXMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-3-5-6(4(2)10)11-7(8)9-5/h3H2,1-2H3,(H2,8,9).
What are the key properties of 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone?
1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 170.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 13485346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).