3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione

C19H13FN2OS2 — CID 135474156

IUPAC3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
SMILESCC1=Nc2ccccc2/C1=C/c1sc(=S)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C19H13FN2OS2/c1-11-15(14-4-2-3-5-16(14)21-11)10-17-18(23)22(19(24)25-17)13-8-6-12(20)7-9-13/h2-10,23H,1H3/b15-10+
InChIKeyOKYZQEPUBXWRIM-XNTDXEJSSA-N
MW368.46 g/mol
LogP5.76
Rot. Bonds2

About 3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione

3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione (PubChem CID 135474156) has the molecular formula C19H13FN2OS2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
PubChem CID135474156
Molecular FormulaC19H13FN2OS2
Molecular Weight368.46 g/mol
Exact Mass368.05
IUPAC Name3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
SMILESCC1=Nc2ccccc2/C1=C/c1sc(=S)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C19H13FN2OS2/c1-11-15(14-4-2-3-5-16(14)21-11)10-17-18(23)22(19(24)25-17)13-8-6-12(20)7-9-13/h2-10,23H,1H3/b15-10+
InChIKeyOKYZQEPUBXWRIM-XNTDXEJSSA-N
XLogP5.76
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenyl)-4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 1202043
4-hydroxy-3-(4-methoxyphenyl)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 1238532
3-(3,4-dimethylphenyl)-4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135517592
3-(3-bromophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135659420
3-(4-bromo-3-chlorophenyl)-4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 137068697
3-benzyl-4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135489918
3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135719271
5-[(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3-(3-methylphenyl)-1,3-thiazole-2-thione
CID 1328812
5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol
CID 1205499
2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 135459114
3-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 135648335
4-[4-hydroxy-5-[(E)-(2-methoxycarbonylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoic acid
CID 135653298

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione (CID 135474156) is 3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione is CC1=Nc2ccccc2/C1=C/c1sc(=S)n(-c2ccc(F)cc2)c1O.
What is the InChIKey of 3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
The InChIKey is OKYZQEPUBXWRIM-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H13FN2OS2/c1-11-15(14-4-2-3-5-16(14)21-11)10-17-18(23)22(19(24)25-17)13-8-6-12(20)7-9-13/h2-10,23H,1H3/b15-10+.
What are the key properties of 3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione has a molecular weight of 368.46 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 135474156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).