N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide

C20H13F2N3O3S — CID 135614510

IUPACN-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide
SMILESO=C(Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H13F2N3O3S/c21-12-5-6-16(14(22)8-12)24-18(26)10-25-19(27)17(29-20(25)28)7-11-9-23-15-4-2-1-3-13(11)15/h1-9,27H,10H2,(H,24,26)/b11-7+
InChIKeyIFVBPAUOIWNXPY-YRNVUSSQSA-N
MW413.41 g/mol
LogP3.79
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide

N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide (PubChem CID 135614510) has the molecular formula C20H13F2N3O3S and a molecular weight of 413.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide
PubChem CID135614510
Molecular FormulaC20H13F2N3O3S
Molecular Weight413.41 g/mol
Exact Mass413.06
IUPAC NameN-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide
SMILESO=C(Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C20H13F2N3O3S/c21-12-5-6-16(14(22)8-12)24-18(26)10-25-19(27)17(29-20(25)28)7-11-9-23-15-4-2-1-3-13(11)15/h1-9,27H,10H2,(H,24,26)/b11-7+
InChIKeyIFVBPAUOIWNXPY-YRNVUSSQSA-N
XLogP3.79
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide
CID 4541655
N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide
CID 135717380
N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 137068640
6-[[2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]amino]hexanoic acid
CID 137262310
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828
N-(2,4-difluorophenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide
CID 5034931
N-(2,4-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1096308
3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 135912325
2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol
CID 135589559
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
CID 135968366
4-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]butanamide
CID 135757122

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide (CID 135614510) is N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide is O=C(Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide?
The InChIKey is IFVBPAUOIWNXPY-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H13F2N3O3S/c21-12-5-6-16(14(22)8-12)24-18(26)10-25-19(27)17(29-20(25)28)7-11-9-23-15-4-2-1-3-13(11)15/h1-9,27H,10H2,(H,24,26)/b11-7+.
What are the key properties of N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide?
N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide has a molecular weight of 413.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 135614510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).