3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide

C26H15Cl4N3O3S — CID 173258759

IUPAC3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C(=Cc1sc(=O)n(Cc3ccc(Cl)c(Cl)c3)c1O)C=N2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H15Cl4N3O3S/c27-18-4-1-13(7-20(18)29)12-33-25(35)23(37-26(33)36)9-15-11-31-22-6-3-16(10-17(15)22)32-24(34)14-2-5-19(28)21(30)8-14/h1-11,35H,12H2,(H,32,34)
InChIKeyNNKUFYQDLMOLOD-UHFFFAOYSA-N
MW591.30 g/mol
LogP7.79
Rot. Bonds5

About 3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide

3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide (PubChem CID 173258759) has the molecular formula C26H15Cl4N3O3S and a molecular weight of 591.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide
PubChem CID173258759
Molecular FormulaC26H15Cl4N3O3S
Molecular Weight591.30 g/mol
Exact Mass588.96
IUPAC Name3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C(=Cc1sc(=O)n(Cc3ccc(Cl)c(Cl)c3)c1O)C=N2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H15Cl4N3O3S/c27-18-4-1-13(7-20(18)29)12-33-25(35)23(37-26(33)36)9-15-11-31-22-6-3-16(10-17(15)22)32-24(34)14-2-5-19(28)21(30)8-14/h1-11,35H,12H2,(H,32,34)
InChIKeyNNKUFYQDLMOLOD-UHFFFAOYSA-N
XLogP7.79
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.30
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 135440871
3-[(3,4-dichlorophenyl)methyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 3453645
5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 137083607
3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 3615060
3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263324
N-(4-chlorophenyl)-3-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanamide
CID 135732676
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-2-thione
CID 137126764
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
2-methylpropyl 2-[5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetate
CID 137117277
N-[1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-methylbenzamide
CID 151435673
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide (CID 173258759) is 3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide is O=C(Nc1ccc2c(c1)C(=Cc1sc(=O)n(Cc3ccc(Cl)c(Cl)c3)c1O)C=N2)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide?
The InChIKey is NNKUFYQDLMOLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Cl4N3O3S/c27-18-4-1-13(7-20(18)29)12-33-25(35)23(37-26(33)36)9-15-11-31-22-6-3-16(10-17(15)22)32-24(34)14-2-5-19(28)21(30)8-14/h1-11,35H,12H2,(H,32,34).
What are the key properties of 3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide?
3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide has a molecular weight of 591.30 g/mol, XLogP of 7.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[[3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]indol-5-yl]benzamide is sourced from PubChem (CID 173258759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).