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

C18H12N2O3S2 — CID 1373092

IUPAC3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCOc1cccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)c1
InChIInChI=1S/C18H12N2O3S2/c1-23-11-6-4-5-10(9-11)20-17(22)15(25-18(20)24)14-12-7-2-3-8-13(12)19-16(14)21/h2-9,22H,1H3
InChIKeyDXWXWCSIJZXAFI-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.34
Rot. Bonds3

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

3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1373092) has the molecular formula C18H12N2O3S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
PubChem CID1373092
Molecular FormulaC18H12N2O3S2
Molecular Weight368.44 g/mol
Exact Mass368.03
IUPAC Name3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCOc1cccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)c1
InChIInChI=1S/C18H12N2O3S2/c1-23-11-6-4-5-10(9-11)20-17(22)15(25-18(20)24)14-12-7-2-3-8-13(12)19-16(14)21/h2-9,22H,1H3
InChIKeyDXWXWCSIJZXAFI-UHFFFAOYSA-N
XLogP2.34
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (CID 1373092) is 3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is COc1cccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)c1.
What is the InChIKey of 3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is DXWXWCSIJZXAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S2/c1-23-11-6-4-5-10(9-11)20-17(22)15(25-18(20)24)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-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 368.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1373092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).