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

C18H12N2O2S2 — CID 1257275

IUPAC3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCc1cccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)c1
InChIInChI=1S/C18H12N2O2S2/c1-10-5-4-6-11(9-10)20-17(22)15(24-18(20)23)14-12-7-2-3-8-13(12)19-16(14)21/h2-9,22H,1H3
InChIKeyBGLSKOFMUBKRKA-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.64
Rot. Bonds2

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

3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1257275) has the molecular formula C18H12N2O2S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
PubChem CID1257275
Molecular FormulaC18H12N2O2S2
Molecular Weight352.44 g/mol
Exact Mass352.03
IUPAC Name3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCc1cccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)c1
InChIInChI=1S/C18H12N2O2S2/c1-10-5-4-6-11(9-10)20-17(22)15(24-18(20)23)14-12-7-2-3-8-13(12)19-16(14)21/h2-9,22H,1H3
InChIKeyBGLSKOFMUBKRKA-UHFFFAOYSA-N
XLogP2.64
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (CID 1257275) is 3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is Cc1cccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)c1.
What is the InChIKey of 3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is BGLSKOFMUBKRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S2/c1-10-5-4-6-11(9-10)20-17(22)15(24-18(20)23)14-12-7-2-3-8-13(12)19-16(14)21/h2-9,22H,1H3.
What are the key properties of 3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1257275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).