5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid

C19H10FN3O6S — CID 135834627

IUPAC5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(Nc2cc(C(=O)O)cc(C(=O)O)c2)nc1O
InChIInChI=1S/C19H10FN3O6S/c20-9-1-2-12-11(6-9)13(15(24)22-12)14-16(25)23-19(30-14)21-10-4-7(17(26)27)3-8(5-10)18(28)29/h1-6,25H,(H,21,23)(H,26,27)(H,28,29)
InChIKeySQNWXPNQRUOUMF-UHFFFAOYSA-N
MW427.37 g/mol
LogP1.49
Rot. Bonds5

About 5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid

5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid (PubChem CID 135834627) has the molecular formula C19H10FN3O6S and a molecular weight of 427.37 g/mol. Its IUPAC name is 5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid
PubChem CID135834627
Molecular FormulaC19H10FN3O6S
Molecular Weight427.37 g/mol
Exact Mass427.03
IUPAC Name5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(Nc2cc(C(=O)O)cc(C(=O)O)c2)nc1O
InChIInChI=1S/C19H10FN3O6S/c20-9-1-2-12-11(6-9)13(15(24)22-12)14-16(25)23-19(30-14)21-10-4-7(17(26)27)3-8(5-10)18(28)29/h1-6,25H,(H,21,23)(H,26,27)(H,28,29)
InChIKeySQNWXPNQRUOUMF-UHFFFAOYSA-N
XLogP1.49
TPSA149.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
CID 135834903
ethyl 2-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155520999
5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
CID 135648709
3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 1228580
5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one
CID 4753577
3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid
CID 4761848
methyl 2-hydroxy-5-[[4-hydroxy-5-(5-methoxy-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 155810758
3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one
CID 155515174
5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
CID 1408886
5-bromo-3-[4-hydroxy-2-(3-hydroxypropylamino)-1,3-thiazol-5-yl]indol-2-one
CID 137004552
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 135505662
3-[[3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-ylidene]amino]benzoic acid
CID 135711610

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid (CID 135834627) is 5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid is O=C1N=c2ccc(F)cc2=C1c1sc(Nc2cc(C(=O)O)cc(C(=O)O)c2)nc1O.
What is the InChIKey of 5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid?
The InChIKey is SQNWXPNQRUOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FN3O6S/c20-9-1-2-12-11(6-9)13(15(24)22-12)14-16(25)23-19(30-14)21-10-4-7(17(26)27)3-8(5-10)18(28)29/h1-6,25H,(H,21,23)(H,26,27)(H,28,29).
What are the key properties of 5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid?
5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid has a molecular weight of 427.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 135834627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).