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

C19H14FN3O2S — CID 135834903

IUPAC3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
SMILESCc1ccc(C)c(Nc2nc(O)c(C3=c4cc(F)ccc4=NC3=O)s2)c1
InChIInChI=1S/C19H14FN3O2S/c1-9-3-4-10(2)14(7-9)22-19-23-18(25)16(26-19)15-12-8-11(20)5-6-13(12)21-17(15)24/h3-8,25H,1-2H3,(H,22,23)
InChIKeyJYLKPQIHPKHJBK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.71
Rot. Bonds3

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

3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one (PubChem CID 135834903) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one.

Molecular Properties

Compound Name3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
PubChem CID135834903
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
SMILESCc1ccc(C)c(Nc2nc(O)c(C3=c4cc(F)ccc4=NC3=O)s2)c1
InChIInChI=1S/C19H14FN3O2S/c1-9-3-4-10(2)14(7-9)22-19-23-18(25)16(26-19)15-12-8-11(20)5-6-13(12)21-17(15)24/h3-8,25H,1-2H3,(H,22,23)
InChIKeyJYLKPQIHPKHJBK-UHFFFAOYSA-N
XLogP2.71
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
CID 1408886
3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 1228580
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-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid
CID 4761848
5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
CID 135648709
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-bromo-3-[4-hydroxy-2-(3-hydroxypropylamino)-1,3-thiazol-5-yl]indol-2-one
CID 137004552
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
methyl 2-hydroxy-5-[[4-hydroxy-5-(5-methoxy-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 155810758
3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one
CID 1310166

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one?
The IUPAC name of 3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one (CID 135834903) is 3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one.
What is the SMILES notation for 3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one?
The canonical SMILES for 3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one is Cc1ccc(C)c(Nc2nc(O)c(C3=c4cc(F)ccc4=NC3=O)s2)c1.
What is the InChIKey of 3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one?
The InChIKey is JYLKPQIHPKHJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-9-3-4-10(2)14(7-9)22-19-23-18(25)16(26-19)15-12-8-11(20)5-6-13(12)21-17(15)24/h3-8,25H,1-2H3,(H,22,23).
What are the key properties of 3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one?
3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one has a molecular weight of 367.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one is sourced from PubChem (CID 135834903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).