4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid

C9H13N3O4S — CID 107836028

IUPAC4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCc1nc(N)sc1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C9H13N3O4S/c1-4-6(17-9(10)12-4)7(14)11-3-2-5(13)8(15)16/h5,13H,2-3H2,1H3,(H2,10,12)(H,11,14)(H,15,16)
InChIKeyIYGYFZQOSDNZOD-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.40
Rot. Bonds5

About 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid

4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107836028) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107836028
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCc1nc(N)sc1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C9H13N3O4S/c1-4-6(17-9(10)12-4)7(14)11-3-2-5(13)8(15)16/h5,13H,2-3H2,1H3,(H2,10,12)(H,11,14)(H,15,16)
InChIKeyIYGYFZQOSDNZOD-UHFFFAOYSA-N
XLogP-0.40
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835738
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168708
2-amino-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794778
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 104872462
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 104872441
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 65106677
(2S,3S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55116101
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81078004

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid (CID 107836028) is 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid is Cc1nc(N)sc1C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is IYGYFZQOSDNZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-4-6(17-9(10)12-4)7(14)11-3-2-5(13)8(15)16/h5,13H,2-3H2,1H3,(H2,10,12)(H,11,14)(H,15,16).
What are the key properties of 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid?
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 259.29 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).