3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one

C19H12ClFN2O2S — CID 3615060

IUPAC3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
SMILESO=c1sc(C=C2C=Nc3ccccc32)c(O)n1Cc1ccc(F)cc1Cl
InChIInChI=1S/C19H12ClFN2O2S/c20-15-8-13(21)6-5-11(15)10-23-18(24)17(26-19(23)25)7-12-9-22-16-4-2-1-3-14(12)16/h1-9,24H,10H2
InChIKeyOCSVXXAZLUMMCI-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.71
Rot. Bonds3

About 3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one

3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one (PubChem CID 3615060) has the molecular formula C19H12ClFN2O2S and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
PubChem CID3615060
Molecular FormulaC19H12ClFN2O2S
Molecular Weight386.84 g/mol
Exact Mass386.03
IUPAC Name3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
SMILESO=c1sc(C=C2C=Nc3ccccc32)c(O)n1Cc1ccc(F)cc1Cl
InChIInChI=1S/C19H12ClFN2O2S/c20-15-8-13(21)6-5-11(15)10-23-18(24)17(26-19(23)25)7-12-9-22-16-4-2-1-3-14(12)16/h1-9,24H,10H2
InChIKeyOCSVXXAZLUMMCI-UHFFFAOYSA-N
XLogP4.71
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 137083607
3-[(2,4-dichlorophenyl)methyl]-5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 137083608
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263324
3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 135912325
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
CID 135968366
2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135589557
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
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one
CID 135460586

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one (CID 3615060) is 3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one is O=c1sc(C=C2C=Nc3ccccc32)c(O)n1Cc1ccc(F)cc1Cl.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
The InChIKey is OCSVXXAZLUMMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O2S/c20-15-8-13(21)6-5-11(15)10-23-18(24)17(26-19(23)25)7-12-9-22-16-4-2-1-3-14(12)16/h1-9,24H,10H2.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one has a molecular weight of 386.84 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 3615060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).