5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid

C19H21FN2O5S — CID 143483498

IUPAC5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCc1ccc2cc(O)c(N3CC(=O)NS3=O)c(F)c2c1)C(=O)O
InChIInChI=1S/C19H21FN2O5S/c1-19(2,18(25)26)7-3-4-11-5-6-12-9-14(23)17(16(20)13(12)8-11)22-10-15(24)21-28(22)27/h5-6,8-9,23H,3-4,7,10H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyHCEVQFBTADZVFU-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.63
Rot. Bonds6

About 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid

5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid (PubChem CID 143483498) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid
PubChem CID143483498
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCc1ccc2cc(O)c(N3CC(=O)NS3=O)c(F)c2c1)C(=O)O
InChIInChI=1S/C19H21FN2O5S/c1-19(2,18(25)26)7-3-4-11-5-6-12-9-14(23)17(16(20)13(12)8-11)22-10-15(24)21-28(22)27/h5-6,8-9,23H,3-4,7,10H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyHCEVQFBTADZVFU-UHFFFAOYSA-N
XLogP2.63
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

5-[1-fluoro-3-hydroxy-7-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 153379937
5-[6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]-2,2-dimethylpentanoic acid
CID 66750756
5-[7-[3-(dimethylamino)propyl]-1-fluoro-3-hydroxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 158752745
5-[1-fluoro-3-hydroxy-7-[(4R)-4-hydroxypentyl]naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155484905
5-[1-fluoro-7-[(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 153379912
5-[3-(4-carboxy-4-methylpentyl)-4-hydroxyphenyl]-2,2-dimethylpentanoic acid
CID 155596184
4-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-3-fluoro-5-[(4-methoxyphenyl)methoxy]benzoic acid
CID 170052315
4-[8-fluoro-6-hydroxy-7-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalen-2-yl]butanoic acid
CID 91386011
5-[7-(2-aminoethoxy)-1-fluoro-3-phenylmethoxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 156799011
7-[3-(5-carboxy-5-methylhexyl)-4-hydroxyphenyl]-2,2-dimethylheptanoic acid
CID 155596139
5-[2-(2-aminopropyl)-8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinolin-7-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 155693934
4-(3,4-difluorophenyl)-2,2-dimethylbutanoic acid
CID 65298322

Frequently Asked Questions

What is the IUPAC name of 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid?
The IUPAC name of 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid (CID 143483498) is 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid is CC(C)(CCCc1ccc2cc(O)c(N3CC(=O)NS3=O)c(F)c2c1)C(=O)O.
What is the InChIKey of 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid?
The InChIKey is HCEVQFBTADZVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-19(2,18(25)26)7-3-4-11-5-6-12-9-14(23)17(16(20)13(12)8-11)22-10-15(24)21-28(22)27/h5-6,8-9,23H,3-4,7,10H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid?
5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid has a molecular weight of 408.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-8-fluoro-6-hydroxynaphthalen-2-yl]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 143483498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).