N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide

C21H15F2N3O3S — CID 135717380

IUPACN-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide
SMILESCC1=Nc2ccccc2/C1=C/c1sc(=O)n(CC(=O)Nc2ccc(F)cc2F)c1O
InChIInChI=1S/C21H15F2N3O3S/c1-11-14(13-4-2-3-5-16(13)24-11)9-18-20(28)26(21(29)30-18)10-19(27)25-17-7-6-12(22)8-15(17)23/h2-9,28H,10H2,1H3,(H,25,27)/b14-9+
InChIKeyIATZDJCRHWJDNY-NTEUORMPSA-N
MW427.43 g/mol
LogP4.18
Rot. Bonds4

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

N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide (PubChem CID 135717380) has the molecular formula C21H15F2N3O3S and a molecular weight of 427.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide
PubChem CID135717380
Molecular FormulaC21H15F2N3O3S
Molecular Weight427.43 g/mol
Exact Mass427.08
IUPAC NameN-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide
SMILESCC1=Nc2ccccc2/C1=C/c1sc(=O)n(CC(=O)Nc2ccc(F)cc2F)c1O
InChIInChI=1S/C21H15F2N3O3S/c1-11-14(13-4-2-3-5-16(13)24-11)9-18-20(28)26(21(29)30-18)10-19(27)25-17-7-6-12(22)8-15(17)23/h2-9,28H,10H2,1H3,(H,25,27)/b14-9+
InChIKeyIATZDJCRHWJDNY-NTEUORMPSA-N
XLogP4.18
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetamide
CID 135614510
2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide
CID 1229232
N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide
CID 4541655
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 137068664
N-(5-chloro-2-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 137068640
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
N-(2,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688890
3-(3-fluorophenyl)-4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 1202043
methyl (3E)-3-[(3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]-5-fluoroindole-2-carboxylate
CID 135653018
N-(2,4-difluorophenyl)-2-[4-(4-methylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 53034434
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide (CID 135717380) is N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide is CC1=Nc2ccccc2/C1=C/c1sc(=O)n(CC(=O)Nc2ccc(F)cc2F)c1O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide?
The InChIKey is IATZDJCRHWJDNY-NTEUORMPSA-N. The full InChI is InChI=1S/C21H15F2N3O3S/c1-11-14(13-4-2-3-5-16(13)24-11)9-18-20(28)26(21(29)30-18)10-19(27)25-17-7-6-12(22)8-15(17)23/h2-9,28H,10H2,1H3,(H,25,27)/b14-9+.
What are the key properties of N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide?
N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide has a molecular weight of 427.43 g/mol, XLogP of 4.18, 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)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 135717380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).