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

C19H14BrN3O2S — CID 1408886

IUPAC5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESCc1ccc(Nc2nc(O)c(C3=c4cc(Br)ccc4=NC3=O)s2)c(C)c1
InChIInChI=1S/C19H14BrN3O2S/c1-9-3-5-13(10(2)7-9)22-19-23-18(25)16(26-19)15-12-8-11(20)4-6-14(12)21-17(15)24/h3-8,25H,1-2H3,(H,22,23)
InChIKeyGULWUDDWSDQMQB-UHFFFAOYSA-N
MW428.31 g/mol
LogP3.33
Rot. Bonds3

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

5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1408886) has the molecular formula C19H14BrN3O2S and a molecular weight of 428.31 g/mol. Its IUPAC name is 5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
PubChem CID1408886
Molecular FormulaC19H14BrN3O2S
Molecular Weight428.31 g/mol
Exact Mass427.00
IUPAC Name5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESCc1ccc(Nc2nc(O)c(C3=c4cc(Br)ccc4=NC3=O)s2)c(C)c1
InChIInChI=1S/C19H14BrN3O2S/c1-9-3-5-13(10(2)7-9)22-19-23-18(25)16(26-19)15-12-8-11(20)4-6-14(12)21-17(15)24/h3-8,25H,1-2H3,(H,22,23)
InChIKeyGULWUDDWSDQMQB-UHFFFAOYSA-N
XLogP3.33
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
CID 135834903
3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 1228580
3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid
CID 4761848
5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 43306818
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 135505662
3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one
CID 155515174
5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid
CID 135834627
ethyl 2-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155520999
3-[4-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
CID 155816925
5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-3-(2-methylphenyl)-1,3-thiazol-2-one
CID 1382767
methyl 2-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]propanoate
CID 4142278
5-(5-bromo-2-oxoindol-3-yl)-4-sulfanyl-3H-1,3-thiazol-2-one
CID 135700002

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (CID 1408886) is 5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is Cc1ccc(Nc2nc(O)c(C3=c4cc(Br)ccc4=NC3=O)s2)c(C)c1.
What is the InChIKey of 5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is GULWUDDWSDQMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2S/c1-9-3-5-13(10(2)7-9)22-19-23-18(25)16(26-19)15-12-8-11(20)4-6-14(12)21-17(15)24/h3-8,25H,1-2H3,(H,22,23).
What are the key properties of 5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 428.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1408886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).