2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid

C9H11N3O4S — CID 43170831

IUPAC2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESCC(=O)Nc1nc(C(=O)NC(C)C(=O)O)cs1
InChIInChI=1S/C9H11N3O4S/c1-4(8(15)16)10-7(14)6-3-17-9(12-6)11-5(2)13/h3-4H,1-2H3,(H,10,14)(H,15,16)(H,11,12,13)
InChIKeyQCOWLPRYQNARMN-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.30
Rot. Bonds4

About 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid

2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 43170831) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID43170831
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESCC(=O)Nc1nc(C(=O)NC(C)C(=O)O)cs1
InChIInChI=1S/C9H11N3O4S/c1-4(8(15)16)10-7(14)6-3-17-9(12-6)11-5(2)13/h3-4H,1-2H3,(H,10,14)(H,15,16)(H,11,12,13)
InChIKeyQCOWLPRYQNARMN-UHFFFAOYSA-N
XLogP0.30
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid 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-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243283
2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 61247496
(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63715392
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 103772744
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide
CID 75361389
2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 43466795
3-methyl-2-[[2-(3-methylbutanoylamino)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 82033281
2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 35262964
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid (CID 43170831) is 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid is CC(=O)Nc1nc(C(=O)NC(C)C(=O)O)cs1.
What is the InChIKey of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is QCOWLPRYQNARMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-4(8(15)16)10-7(14)6-3-17-9(12-6)11-5(2)13/h3-4H,1-2H3,(H,10,14)(H,15,16)(H,11,12,13).
What are the key properties of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid?
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 257.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43170831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).