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

C6H8N2O2S — CID 131010789

IUPACN-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC1=NC(C)C(=O)S1
InChIInChI=1S/C6H8N2O2S/c1-3-5(10)11-6(7-3)8-4(2)9/h3H,1-2H3,(H,7,8,9)
InChIKeyZIXVEKLHPQJBCQ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.14
Rot. Bonds

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

N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide (PubChem CID 131010789) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide
PubChem CID131010789
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC NameN-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC1=NC(C)C(=O)S1
InChIInChI=1S/C6H8N2O2S/c1-3-5(10)11-6(7-3)8-4(2)9/h3H,1-2H3,(H,7,8,9)
InChIKeyZIXVEKLHPQJBCQ-UHFFFAOYSA-N
XLogP0.14
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-oxo-4H-1,3-thiazol-2-yl)acetamide
CID 101043066
N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 70250663
N-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 70323320
(4R)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 7188355
(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 7188357
2-[(4-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 43545734
N-(5-oxo-4H-1,3-thiazol-2-yl)butanamide
CID 45119296
N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide
CID 130004903
(2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 131089663

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide (CID 131010789) is N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide is CC(=O)NC1=NC(C)C(=O)S1.
What is the InChIKey of N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZIXVEKLHPQJBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-3-5(10)11-6(7-3)8-4(2)9/h3H,1-2H3,(H,7,8,9).
What are the key properties of N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide?
N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide has a molecular weight of 172.21 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-oxo-4H-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 131010789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).