3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one

C17H10BrN3O2S — CID 1228662

IUPAC3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(Nc2ccc(Br)cc2)nc1O
InChIInChI=1S/C17H10BrN3O2S/c18-9-5-7-10(8-6-9)19-17-21-16(23)14(24-17)13-11-3-1-2-4-12(11)20-15(13)22/h1-8,23H,(H,19,21)
InChIKeyXGVVINPQSJNHCV-UHFFFAOYSA-N
MW400.26 g/mol
LogP2.71
Rot. Bonds3

About 3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one

3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1228662) has the molecular formula C17H10BrN3O2S and a molecular weight of 400.26 g/mol. Its IUPAC name is 3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
PubChem CID1228662
Molecular FormulaC17H10BrN3O2S
Molecular Weight400.26 g/mol
Exact Mass398.97
IUPAC Name3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(Nc2ccc(Br)cc2)nc1O
InChIInChI=1S/C17H10BrN3O2S/c18-9-5-7-10(8-6-9)19-17-21-16(23)14(24-17)13-11-3-1-2-4-12(11)20-15(13)22/h1-8,23H,(H,19,21)
InChIKeyXGVVINPQSJNHCV-UHFFFAOYSA-N
XLogP2.71
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (CID 1228662) is 3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccccc2=C1c1sc(Nc2ccc(Br)cc2)nc1O.
What is the InChIKey of 3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is XGVVINPQSJNHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2S/c18-9-5-7-10(8-6-9)19-17-21-16(23)14(24-17)13-11-3-1-2-4-12(11)20-15(13)22/h1-8,23H,(H,19,21).
What are the key properties of 3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 400.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1228662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).