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

C17H9Cl2N3O2S — CID 135648709

IUPAC5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccc(Cl)cc2=C1c1sc(Nc2ccc(Cl)cc2)nc1O
InChIInChI=1S/C17H9Cl2N3O2S/c18-8-1-4-10(5-2-8)20-17-22-16(24)14(25-17)13-11-7-9(19)3-6-12(11)21-15(13)23/h1-7,24H,(H,20,22)
InChIKeySDPATYAQSSSOHU-UHFFFAOYSA-N
MW390.25 g/mol
LogP3.26
Rot. Bonds3

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

5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (PubChem CID 135648709) has the molecular formula C17H9Cl2N3O2S and a molecular weight of 390.25 g/mol. Its IUPAC name is 5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
PubChem CID135648709
Molecular FormulaC17H9Cl2N3O2S
Molecular Weight390.25 g/mol
Exact Mass388.98
IUPAC Name5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccc(Cl)cc2=C1c1sc(Nc2ccc(Cl)cc2)nc1O
InChIInChI=1S/C17H9Cl2N3O2S/c18-8-1-4-10(5-2-8)20-17-22-16(24)14(25-17)13-11-7-9(19)3-6-12(11)21-15(13)23/h1-7,24H,(H,20,22)
InChIKeySDPATYAQSSSOHU-UHFFFAOYSA-N
XLogP3.26
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 1228580
3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-chloroindol-2-one
CID 1203463
5-[[5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-yl]amino]benzene-1,3-dicarboxylic acid
CID 135834627
methyl 2-hydroxy-5-[[4-hydroxy-5-(5-methoxy-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 155810758
5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
CID 1408886
3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]-6-chloro-7-methylindol-2-one
CID 1222309
3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one
CID 1310166
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
5-chloro-3-phenylindol-2-one
CID 70511404
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one
CID 135424873
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (CID 135648709) is 5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccc(Cl)cc2=C1c1sc(Nc2ccc(Cl)cc2)nc1O.
What is the InChIKey of 5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is SDPATYAQSSSOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O2S/c18-8-1-4-10(5-2-8)20-17-22-16(24)14(25-17)13-11-7-9(19)3-6-12(11)21-15(13)23/h1-7,24H,(H,20,22).
What are the key properties of 5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 390.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 135648709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).