N-(5-formyl-1,3-thiazol-2-yl)acetamide

C6H6N2O2S — CID 11829864

IUPACN-(5-formyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(C=O)s1
InChIInChI=1S/C6H6N2O2S/c1-4(10)8-6-7-2-5(3-9)11-6/h2-3H,1H3,(H,7,8,10)
InChIKeyKZLHASJXPLGUOE-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.91
Rot. Bonds2

About N-(5-formyl-1,3-thiazol-2-yl)acetamide

N-(5-formyl-1,3-thiazol-2-yl)acetamide (PubChem CID 11829864) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is N-(5-formyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-formyl-1,3-thiazol-2-yl)acetamide
PubChem CID11829864
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC NameN-(5-formyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(C=O)s1
InChIInChI=1S/C6H6N2O2S/c1-4(10)8-6-7-2-5(3-9)11-6/h2-3H,1H3,(H,7,8,10)
InChIKeyKZLHASJXPLGUOE-UHFFFAOYSA-N
XLogP0.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-formyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-1,3-thiazole-5-carboxamide
CID 16227213
2-(Dimethylamino)-1,3-thiazole-5-carbaldehyde
CID 12846795
2-Amino-1,3-thiazole-5-carbaldehyde
CID 2737798
2-(Diethylamino)-1,3-thiazole-5-carbaldehyde
CID 2785412
O-ethyl [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylmethanethioate
CID 1796567
2-Acetamido-5-methylthiazole
CID 298507
2-(Methylamino)thiazole-5-carboxamide
CID 56609316
2-(Methylamino)-1,3-thiazole-5-carbaldehyde
CID 22081018
2-Acetamido-1,3-thiazole-5-carboxylic acid
CID 44118319
tert-butyl N-(5-formyl-1,3-thiazol-2-yl)carbamate
CID 53393345
2-(Ethylamino)-1,3-thiazole-5-carbaldehyde
CID 82416119
N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide
CID 22081035

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-formyl-1,3-thiazol-2-yl)acetamide (CID 11829864) is N-(5-formyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-formyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-formyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1ncc(C=O)s1.
What is the InChIKey of N-(5-formyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KZLHASJXPLGUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c1-4(10)8-6-7-2-5(3-9)11-6/h2-3H,1H3,(H,7,8,10).
What are the key properties of N-(5-formyl-1,3-thiazol-2-yl)acetamide?
N-(5-formyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 170.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 11829864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).