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

C19H14N2O3S2 — CID 135675125

IUPAC3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=S)n(CCOc2ccccc2)c1O
InChIInChI=1S/C19H14N2O3S2/c22-17-15(13-8-4-5-9-14(13)20-17)16-18(23)21(19(25)26-16)10-11-24-12-6-2-1-3-7-12/h1-9,23H,10-11H2
InChIKeyYCJMSITVPOYRCR-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.42
Rot. Bonds5

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

3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (PubChem CID 135675125) has the molecular formula C19H14N2O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
PubChem CID135675125
Molecular FormulaC19H14N2O3S2
Molecular Weight382.47 g/mol
Exact Mass382.04
IUPAC Name3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=S)n(CCOc2ccccc2)c1O
InChIInChI=1S/C19H14N2O3S2/c22-17-15(13-8-4-5-9-14(13)20-17)16-18(23)21(19(25)26-16)10-11-24-12-6-2-1-3-7-12/h1-9,23H,10-11H2
InChIKeyYCJMSITVPOYRCR-UHFFFAOYSA-N
XLogP2.42
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoate
CID 135597773
acetic acid;3-[4-hydroxy-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 135691190
3-(3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-chloroindol-2-one
CID 1360153
3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 4515352
2-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanesulfonate
CID 135603047
3-[3-(2-chlorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 1287047
4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 137131441
2-[3-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]propanoylamino]acetic acid
CID 137068011
3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-5-methylindol-2-one
CID 1271404
methyl 4-[4-hydroxy-5-(5-nitro-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]butanoate
CID 135597795
3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 135575309
3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one
CID 135711470

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (CID 135675125) is 3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccccc2=C1c1sc(=S)n(CCOc2ccccc2)c1O.
What is the InChIKey of 3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is YCJMSITVPOYRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S2/c22-17-15(13-8-4-5-9-14(13)20-17)16-18(23)21(19(25)26-16)10-11-24-12-6-2-1-3-7-12/h1-9,23H,10-11H2.
What are the key properties of 3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 382.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3-(2-phenoxyethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 135675125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).