4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one

C23H15N3O2S — CID 135782674

IUPAC4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one
SMILESO=c1sc(/C=C2/C=NN=C2c2ccccc2)c(O)n1-c1cccc2ccccc12
InChIInChI=1S/C23H15N3O2S/c27-22-20(13-17-14-24-25-21(17)16-8-2-1-3-9-16)29-23(28)26(22)19-12-6-10-15-7-4-5-11-18(15)19/h1-14,27H/b17-13-
InChIKeyKJTAICOTKVKBIR-LGMDPLHJSA-N
MW397.46 g/mol
LogP4.63
Rot. Bonds3

About 4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one

4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one (PubChem CID 135782674) has the molecular formula C23H15N3O2S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one
PubChem CID135782674
Molecular FormulaC23H15N3O2S
Molecular Weight397.46 g/mol
Exact Mass397.09
IUPAC Name4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one
SMILESO=c1sc(/C=C2/C=NN=C2c2ccccc2)c(O)n1-c1cccc2ccccc12
InChIInChI=1S/C23H15N3O2S/c27-22-20(13-17-14-24-25-21(17)16-8-2-1-3-9-16)29-23(28)26(22)19-12-6-10-15-7-4-5-11-18(15)19/h1-14,27H/b17-13-
InChIKeyKJTAICOTKVKBIR-LGMDPLHJSA-N
XLogP4.63
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-3-(2-methylphenyl)-5-[(Z)-[3-(3-nitrophenyl)pyrazol-4-ylidene]methyl]-1,3-thiazol-2-one
CID 135782676
3-benzyl-4-hydroxy-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazole-2-thione
CID 135490133
4-hydroxy-3-(2-methylpropyl)-5-[(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazole-2-thione
CID 135492612
3-benzyl-5-[(3-phenylpyrazol-4-ylidene)methyl]-4-sulfanyl-1,3-thiazol-2-one
CID 135405701
4-hydroxy-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3-propan-2-yl-1,3-thiazole-2-thione
CID 135518500
3-[4-hydroxy-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoate
CID 135745665
(2S)-2-[4-hydroxy-5-[(3-phenylpyrazol-4-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetic acid
CID 137216986
4-hydroxy-3-[(1S)-1-phenylethyl]-5-[(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazole-2-thione
CID 136699306
3-ethyl-4-hydroxy-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-1H-imidazole-2-thione
CID 135619692
3-benzyl-5-[(Z)-[3-(3-nitrophenyl)pyrazol-4-ylidene]methyl]-4-sulfanyl-1,3-thiazol-2-one
CID 135782398
6-hydroxy-5-[(3-phenylpyrazol-4-ylidene)methyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
CID 136622105
4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 135782219

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one (CID 135782674) is 4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one is O=c1sc(/C=C2/C=NN=C2c2ccccc2)c(O)n1-c1cccc2ccccc12.
What is the InChIKey of 4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one?
The InChIKey is KJTAICOTKVKBIR-LGMDPLHJSA-N. The full InChI is InChI=1S/C23H15N3O2S/c27-22-20(13-17-14-24-25-21(17)16-8-2-1-3-9-16)29-23(28)26(22)19-12-6-10-15-7-4-5-11-18(15)19/h1-14,27H/b17-13-.
What are the key properties of 4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one?
4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one has a molecular weight of 397.46 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-naphthalen-1-yl-5-[(Z)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135782674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).