6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid

C20H14N4O5S — CID 174975346

IUPAC6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid
SMILESO=C(Nc1cccc(-c2c[nH]c3cc(O)c(C(=O)O)cc23)c1)C(=O)Nc1nccs1
InChIInChI=1S/C20H14N4O5S/c25-16-8-15-12(7-13(16)19(28)29)14(9-22-15)10-2-1-3-11(6-10)23-17(26)18(27)24-20-21-4-5-30-20/h1-9,22,25H,(H,23,26)(H,28,29)(H,21,24,27)
InChIKeyYUHNUAZERAFESY-UHFFFAOYSA-N
MW422.42 g/mol
LogP3.27
Rot. Bonds4

About 6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid

6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid (PubChem CID 174975346) has the molecular formula C20H14N4O5S and a molecular weight of 422.42 g/mol. Its IUPAC name is 6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid
PubChem CID174975346
Molecular FormulaC20H14N4O5S
Molecular Weight422.42 g/mol
Exact Mass422.07
IUPAC Name6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid
SMILESO=C(Nc1cccc(-c2c[nH]c3cc(O)c(C(=O)O)cc23)c1)C(=O)Nc1nccs1
InChIInChI=1S/C20H14N4O5S/c25-16-8-15-12(7-13(16)19(28)29)14(9-22-15)10-2-1-3-11(6-10)23-17(26)18(27)24-20-21-4-5-30-20/h1-9,22,25H,(H,23,26)(H,28,29)(H,21,24,27)
InChIKeyYUHNUAZERAFESY-UHFFFAOYSA-N
XLogP3.27
TPSA144.41 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 53.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid?
The IUPAC name of 6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid (CID 174975346) is 6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid is O=C(Nc1cccc(-c2c[nH]c3cc(O)c(C(=O)O)cc23)c1)C(=O)Nc1nccs1.
What is the InChIKey of 6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid?
The InChIKey is YUHNUAZERAFESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O5S/c25-16-8-15-12(7-13(16)19(28)29)14(9-22-15)10-2-1-3-11(6-10)23-17(26)18(27)24-20-21-4-5-30-20/h1-9,22,25H,(H,23,26)(H,28,29)(H,21,24,27).
What are the key properties of 6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid?
6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid has a molecular weight of 422.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-[3-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 174975346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).