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

C19H14N2O2S2 — CID 135880757

IUPAC4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1/C=C1\C=Nc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C19H14N2O2S2/c22-18-17(25-19(24)21-18)8-13-10-20-16-7-6-14(9-15(13)16)23-11-12-4-2-1-3-5-12/h1-10,22H,11H2,(H,21,24)/b13-8+
InChIKeyLKPRFBQNIBBADU-MDWZMJQESA-N
MW366.47 g/mol
LogP5.35
Rot. Bonds4

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

4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione (PubChem CID 135880757) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione
PubChem CID135880757
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1/C=C1\C=Nc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C19H14N2O2S2/c22-18-17(25-19(24)21-18)8-13-10-20-16-7-6-14(9-15(13)16)23-11-12-4-2-1-3-5-12/h1-10,22H,11H2,(H,21,24)/b13-8+
InChIKeyLKPRFBQNIBBADU-MDWZMJQESA-N
XLogP5.35
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 135467574
6-hydroxy-5-[(E)-(5-phenylmethoxyindol-3-ylidene)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 135468644
4-hydroxy-5-[(5-phenylmethoxypyrrolo[2,3-c]pyridin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 136601959
3-(2,2-dimethylpropanoyl)-4-hydroxy-5-[(5-phenylmethoxyindol-3-ylidene)methyl]-1,3-thiazol-2-one
CID 173258653
1,3-diethyl-6-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 135921196
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-2-thione
CID 137126764
4-[4-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoic acid
CID 4898250
2-phenyl-5-phenylmethoxyphenol
CID 123808909
3-[4-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoic acid
CID 136920037
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(3-phenylpropyl)-1,3-thiazol-2-one
CID 137126952
5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
CID 135924939

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione (CID 135880757) is 4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione is Oc1[nH]c(=S)sc1/C=C1\C=Nc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione?
The InChIKey is LKPRFBQNIBBADU-MDWZMJQESA-N. The full InChI is InChI=1S/C19H14N2O2S2/c22-18-17(25-19(24)21-18)8-13-10-20-16-7-6-14(9-15(13)16)23-11-12-4-2-1-3-5-12/h1-10,22H,11H2,(H,21,24)/b13-8+.
What are the key properties of 4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione?
4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione has a molecular weight of 366.47 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 135880757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).