N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide

C5H6N2O2S — CID 101043066

IUPACN-(5-oxo-4H-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC1=NCC(=O)S1
InChIInChI=1S/C5H6N2O2S/c1-3(8)7-5-6-2-4(9)10-5/h2H2,1H3,(H,6,7,8)
InChIKeyZCQUZRYFGRPNMA-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.25
Rot. Bonds

About N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide

N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide (PubChem CID 101043066) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-oxo-4H-1,3-thiazol-2-yl)acetamide
PubChem CID101043066
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC NameN-(5-oxo-4H-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC1=NCC(=O)S1
InChIInChI=1S/C5H6N2O2S/c1-3(8)7-5-6-2-4(9)10-5/h2H2,1H3,(H,6,7,8)
InChIKeyZCQUZRYFGRPNMA-UHFFFAOYSA-N
XLogP-0.25
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide (CID 101043066) is N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide is CC(=O)NC1=NCC(=O)S1.
What is the InChIKey of N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZCQUZRYFGRPNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-3(8)7-5-6-2-4(9)10-5/h2H2,1H3,(H,6,7,8).
What are the key properties of N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide?
N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide has a molecular weight of 158.18 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 101043066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).