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

C27H23N3O4S — CID 1382374

IUPAC3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESCCOc1ccc(/N=c2\sc(C3=c4ccccc4=NC3=O)c(O)n2-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C27H23N3O4S/c1-3-33-19-13-9-17(10-14-19)28-27-30(18-11-15-20(16-12-18)34-4-2)26(32)24(35-27)23-21-7-5-6-8-22(21)29-25(23)31/h5-16,32H,3-4H2,1-2H3/b28-27-
InChIKeyFALLOOLTGAVSKM-DQSJHHFOSA-N
MW485.57 g/mol
LogP3.63
Rot. Bonds7

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

3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1382374) has the molecular formula C27H23N3O4S and a molecular weight of 485.57 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
PubChem CID1382374
Molecular FormulaC27H23N3O4S
Molecular Weight485.57 g/mol
Exact Mass485.14
IUPAC Name3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESCCOc1ccc(/N=c2\sc(C3=c4ccccc4=NC3=O)c(O)n2-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C27H23N3O4S/c1-3-33-19-13-9-17(10-14-19)28-27-30(18-11-15-20(16-12-18)34-4-2)26(32)24(35-27)23-21-7-5-6-8-22(21)29-25(23)31/h5-16,32H,3-4H2,1-2H3/b28-27-
InChIKeyFALLOOLTGAVSKM-DQSJHHFOSA-N
XLogP3.63
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-ethoxyphenyl)-2-(isopropylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756751
N-(4-ethoxyphenyl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2155116
2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]thio}-N-(4-methoxyphenyl)acetamide
CID 3236493
Ethyl 2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetate
CID 3243148
N-(4-ethoxyphenyl)-2-((1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135447326
3-(4-ethoxyphenyl)-2-(methylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756749
Methyl 2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)propanoate
CID 3245247
3-(4-ethoxyphenyl)-5-(methylthio)-6-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
CID 3434376
(2E)-5-ethyl-3-(4-methoxyphenyl)-2-[(E)-1-phenoxypropan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 71462724
(Z)-5-(5-bromo-2-oxoindolin-3-ylidene)-3-(4-methoxyphenyl)-2-thioxothiazolidin-4-one
CID 1230233
(3Z)-3-[3-(4-ethoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1385322
3-(4-ethoxyphenyl)-2-(ethylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756750

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (CID 1382374) is 3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is CCOc1ccc(/N=c2\sc(C3=c4ccccc4=NC3=O)c(O)n2-c2ccc(OCC)cc2)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is FALLOOLTGAVSKM-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H23N3O4S/c1-3-33-19-13-9-17(10-14-19)28-27-30(18-11-15-20(16-12-18)34-4-2)26(32)24(35-27)23-21-7-5-6-8-22(21)29-25(23)31/h5-16,32H,3-4H2,1-2H3/b28-27-.
What are the key properties of 3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 485.57 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1382374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).