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

C18H13N3O2S — CID 719592

IUPAC3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one
SMILESCc1ccc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)cc1
InChIInChI=1S/C18H13N3O2S/c1-10-6-8-11(9-7-10)19-18-21-17(23)15(24-18)14-12-4-2-3-5-13(12)20-16(14)22/h2-9,23H,1H3,(H,19,21)
InChIKeyGYVJILIJPZZVMD-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.26
Rot. Bonds3

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

3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one (PubChem CID 719592) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one
PubChem CID719592
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one
SMILESCc1ccc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)cc1
InChIInChI=1S/C18H13N3O2S/c1-10-6-8-11(9-7-10)19-18-21-17(23)15(24-18)14-12-4-2-3-5-13(12)20-16(14)22/h2-9,23H,1H3,(H,19,21)
InChIKeyGYVJILIJPZZVMD-UHFFFAOYSA-N
XLogP2.26
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one (CID 719592) is 3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one is Cc1ccc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)cc1.
What is the InChIKey of 3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is GYVJILIJPZZVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-10-6-8-11(9-7-10)19-18-21-17(23)15(24-18)14-12-4-2-3-5-13(12)20-16(14)22/h2-9,23H,1H3,(H,19,21).
What are the key properties of 3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 335.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-(4-methylanilino)-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 719592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).