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

C10H13N3O5S — CID 61243283

IUPAC2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCC(=O)Nc1nc(C(=O)NC(CCO)C(=O)O)cs1
InChIInChI=1S/C10H13N3O5S/c1-5(15)11-10-13-7(4-19-10)8(16)12-6(2-3-14)9(17)18/h4,6,14H,2-3H2,1H3,(H,12,16)(H,17,18)(H,11,13,15)
InChIKeyHVUYLGXAYJJVFP-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.33
Rot. Bonds6

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

2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 61243283) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID61243283
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCC(=O)Nc1nc(C(=O)NC(CCO)C(=O)O)cs1
InChIInChI=1S/C10H13N3O5S/c1-5(15)11-10-13-7(4-19-10)8(16)12-6(2-3-14)9(17)18/h4,6,14H,2-3H2,1H3,(H,12,16)(H,17,18)(H,11,13,15)
InChIKeyHVUYLGXAYJJVFP-UHFFFAOYSA-N
XLogP-0.33
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63715392
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
(2S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-hydroxybutanoic acid
CID 107824964
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 103772744
2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 61247496
2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid
CID 84555720
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 62788085

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid (CID 61243283) is 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid is CC(=O)Nc1nc(C(=O)NC(CCO)C(=O)O)cs1.
What is the InChIKey of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is HVUYLGXAYJJVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-5(15)11-10-13-7(4-19-10)8(16)12-6(2-3-14)9(17)18/h4,6,14H,2-3H2,1H3,(H,12,16)(H,17,18)(H,11,13,15).
What are the key properties of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid?
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 287.30 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61243283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).