2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid

C21H17FN4O7S — CID 87580595

IUPAC2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(C2NC(=O)N(C(Cc3ccco3)C(=O)Nc3nc(C(=O)O)cs3)C2=O)cc1F
InChIInChI=1S/C21H17FN4O7S/c1-32-15-5-4-10(7-12(15)22)16-18(28)26(21(31)24-16)14(8-11-3-2-6-33-11)17(27)25-20-23-13(9-34-20)19(29)30/h2-7,9,14,16H,8H2,1H3,(H,24,31)(H,29,30)(H,23,25,27)
InChIKeyLIOPBNVITAVQQF-UHFFFAOYSA-N
MW488.45 g/mol
LogP2.42
Rot. Bonds8

About 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid

2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 87580595) has the molecular formula C21H17FN4O7S and a molecular weight of 488.45 g/mol. Its IUPAC name is 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID87580595
Molecular FormulaC21H17FN4O7S
Molecular Weight488.45 g/mol
Exact Mass488.08
IUPAC Name2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(C2NC(=O)N(C(Cc3ccco3)C(=O)Nc3nc(C(=O)O)cs3)C2=O)cc1F
InChIInChI=1S/C21H17FN4O7S/c1-32-15-5-4-10(7-12(15)22)16-18(28)26(21(31)24-16)14(8-11-3-2-6-33-11)17(27)25-20-23-13(9-34-20)19(29)30/h2-7,9,14,16H,8H2,1H3,(H,24,31)(H,29,30)(H,23,25,27)
InChIKeyLIOPBNVITAVQQF-UHFFFAOYSA-N
XLogP2.42
TPSA151.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

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CID 4856916
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CID 3205639
CID 3205639
CID 10811685
CID 10811685
CID 1302459
CID 1302459
CID 4876660
CID 4876660
CID 5734520
CID 5734520
CID 42208395
CID 42208395
CID 11504453
CID 11504453
CID 11511845
CID 11511845

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid (CID 87580595) is 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid is COc1ccc(C2NC(=O)N(C(Cc3ccco3)C(=O)Nc3nc(C(=O)O)cs3)C2=O)cc1F.
What is the InChIKey of 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LIOPBNVITAVQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O7S/c1-32-15-5-4-10(7-12(15)22)16-18(28)26(21(31)24-16)14(8-11-3-2-6-33-11)17(27)25-20-23-13(9-34-20)19(29)30/h2-7,9,14,16H,8H2,1H3,(H,24,31)(H,29,30)(H,23,25,27).
What are the key properties of 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid?
2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 488.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(furan-2-yl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 87580595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).