3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one

C17H9ClFN3O2S — CID 4078145

IUPAC3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(Nc2ccccc2Cl)nc1O
InChIInChI=1S/C17H9ClFN3O2S/c18-10-3-1-2-4-12(10)21-17-22-16(24)14(25-17)13-9-7-8(19)5-6-11(9)20-15(13)23/h1-7,24H,(H,21,22)
InChIKeyBDCJVPSBCYWSSS-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.74
Rot. Bonds3

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

3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one (PubChem CID 4078145) has the molecular formula C17H9ClFN3O2S and a molecular weight of 373.80 g/mol. Its IUPAC name is 3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one.

Molecular Properties

Compound Name3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
PubChem CID4078145
Molecular FormulaC17H9ClFN3O2S
Molecular Weight373.80 g/mol
Exact Mass373.01
IUPAC Name3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(Nc2ccccc2Cl)nc1O
InChIInChI=1S/C17H9ClFN3O2S/c18-10-3-1-2-4-12(10)21-17-22-16(24)14(25-17)13-9-7-8(19)5-6-11(9)20-15(13)23/h1-7,24H,(H,21,22)
InChIKeyBDCJVPSBCYWSSS-UHFFFAOYSA-N
XLogP2.74
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one?
The IUPAC name of 3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one (CID 4078145) is 3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one.
What is the SMILES notation for 3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one?
The canonical SMILES for 3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one is O=C1N=c2ccc(F)cc2=C1c1sc(Nc2ccccc2Cl)nc1O.
What is the InChIKey of 3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one?
The InChIKey is BDCJVPSBCYWSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFN3O2S/c18-10-3-1-2-4-12(10)21-17-22-16(24)14(25-17)13-9-7-8(19)5-6-11(9)20-15(13)23/h1-7,24H,(H,21,22).
What are the key properties of 3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one?
3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one has a molecular weight of 373.80 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one is sourced from PubChem (CID 4078145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).