2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid

C19H20N4O6S — CID 151196806

IUPAC2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)C[C@@H](C(=O)Nc1nc(C(=O)O)cs1)N1C(=O)NC(c2cccc(O)c2)C1=O
InChIInChI=1S/C19H20N4O6S/c1-9(2)6-13(15(25)22-18-20-12(8-30-18)17(27)28)23-16(26)14(21-19(23)29)10-4-3-5-11(24)7-10/h3-5,7-9,13-14,24H,6H2,1-2H3,(H,21,29)(H,27,28)(H,20,22,25)/t13-,14?/m0/s1
InChIKeyNHLYODGTUIGLMF-LSLKUGRBSA-N
MW432.46 g/mol
LogP2.19
Rot. Bonds7

About 2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid

2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 151196806) has the molecular formula C19H20N4O6S and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID151196806
Molecular FormulaC19H20N4O6S
Molecular Weight432.46 g/mol
Exact Mass432.11
IUPAC Name2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)C[C@@H](C(=O)Nc1nc(C(=O)O)cs1)N1C(=O)NC(c2cccc(O)c2)C1=O
InChIInChI=1S/C19H20N4O6S/c1-9(2)6-13(15(25)22-18-20-12(8-30-18)17(27)28)23-16(26)14(21-19(23)29)10-4-3-5-11(24)7-10/h3-5,7-9,13-14,24H,6H2,1-2H3,(H,21,29)(H,27,28)(H,20,22,25)/t13-,14?/m0/s1
InChIKeyNHLYODGTUIGLMF-LSLKUGRBSA-N
XLogP2.19
TPSA148.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid (CID 151196806) is 2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid is CC(C)C[C@@H](C(=O)Nc1nc(C(=O)O)cs1)N1C(=O)NC(c2cccc(O)c2)C1=O.
What is the InChIKey of 2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NHLYODGTUIGLMF-LSLKUGRBSA-N. The full InChI is InChI=1S/C19H20N4O6S/c1-9(2)6-13(15(25)22-18-20-12(8-30-18)17(27)28)23-16(26)14(21-19(23)29)10-4-3-5-11(24)7-10/h3-5,7-9,13-14,24H,6H2,1-2H3,(H,21,29)(H,27,28)(H,20,22,25)/t13-,14?/m0/s1.
What are the key properties of 2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid?
2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 432.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 151196806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).