5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one

C19H14BrN3O3S — CID 1182675

IUPAC5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one
SMILESCCOc1ccc(Nc2[nH]c(=O)sc2C2=c3cc(Br)ccc3=NC2=O)cc1
InChIInChI=1S/C19H14BrN3O3S/c1-2-26-12-6-4-11(5-7-12)21-17-16(27-19(25)23-17)15-13-9-10(20)3-8-14(13)22-18(15)24/h3-9,21H,2H2,1H3,(H,23,25)
InChIKeyBFRNBLRLXSGPPH-UHFFFAOYSA-N
MW444.31 g/mol
LogP2.70
Rot. Bonds5

About 5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one

5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one (PubChem CID 1182675) has the molecular formula C19H14BrN3O3S and a molecular weight of 444.31 g/mol. Its IUPAC name is 5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one
PubChem CID1182675
Molecular FormulaC19H14BrN3O3S
Molecular Weight444.31 g/mol
Exact Mass442.99
IUPAC Name5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one
SMILESCCOc1ccc(Nc2[nH]c(=O)sc2C2=c3cc(Br)ccc3=NC2=O)cc1
InChIInChI=1S/C19H14BrN3O3S/c1-2-26-12-6-4-11(5-7-12)21-17-16(27-19(25)23-17)15-13-9-10(20)3-8-14(13)22-18(15)24/h3-9,21H,2H2,1H3,(H,23,25)
InChIKeyBFRNBLRLXSGPPH-UHFFFAOYSA-N
XLogP2.70
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(Z)-5-(5-bromo-2-oxoindolin-3-ylidene)-3-(4-ethoxyphenyl)-2-thioxothiazolidin-4-one
CID 1274063
N-(4-ethoxyphenyl)-2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]acetamide
CID 7185301
3-(4-Ethoxy-phenyl)-5-(2-oxo-1,2-dihydro-indol-3-ylidene)-thiazolidine-2,4-dione
CID 600243
(5Z)-5-[(2-hydroxyquinolin-3-yl)methylidene]-4-{[4-(trifluoromethoxy)phenyl]amino}-1,3-thiazol-2(5H)-one
CID 135634110
3-(4-Ethoxyphenyl)-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
CID 135711365
5-[(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one
CID 136899527
(Z)-5-((2-oxo-1,2-dihydroquinolin-3-yl)methylene)-4-((4-(trifluoromethoxy)phenyl)amino)thiazol-2(5H)-one
CID 137276848
(4Z,5Z)-4-((4-ethoxyphenyl)imino)-5-(2-oxoindolin-3-ylidene)thiazolidin-2-one
CID 1182673
(4Z,5E)-5-(5-bromo-2-oxoindolin-3-ylidene)-4-((4-methoxyphenyl)imino)thiazolidin-2-one
CID 1182679
(E)-3-(4-methoxyphenyl)-5-(2-oxoindolin-3-ylidene)thiazolidine-2,4-dione
CID 1205946

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one (CID 1182675) is 5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one is CCOc1ccc(Nc2[nH]c(=O)sc2C2=c3cc(Br)ccc3=NC2=O)cc1.
What is the InChIKey of 5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one?
The InChIKey is BFRNBLRLXSGPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O3S/c1-2-26-12-6-4-11(5-7-12)21-17-16(27-19(25)23-17)15-13-9-10(20)3-8-14(13)22-18(15)24/h3-9,21H,2H2,1H3,(H,23,25).
What are the key properties of 5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one?
5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one has a molecular weight of 444.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-oxoindol-3-yl)-4-(4-ethoxyanilino)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 1182675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).