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

C14H12N2OS2 — CID 135447388

IUPAC5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione
SMILESCC1=Nc2ccc(C)cc2/C1=C/c1sc(=S)[nH]c1O
InChIInChI=1S/C14H12N2OS2/c1-7-3-4-11-10(5-7)9(8(2)15-11)6-12-13(17)16-14(18)19-12/h3-6,17H,1-2H3,(H,16,18)/b9-6+
InChIKeyZMUYOWFFZJUEIV-RMKNXTFCSA-N
MW288.40 g/mol
LogP4.47
Rot. Bonds1

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

5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione (PubChem CID 135447388) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione
PubChem CID135447388
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione
SMILESCC1=Nc2ccc(C)cc2/C1=C/c1sc(=S)[nH]c1O
InChIInChI=1S/C14H12N2OS2/c1-7-3-4-11-10(5-7)9(8(2)15-11)6-12-13(17)16-14(18)19-12/h3-6,17H,1-2H3,(H,16,18)/b9-6+
InChIKeyZMUYOWFFZJUEIV-RMKNXTFCSA-N
XLogP4.47
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione (CID 135447388) is 5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione is CC1=Nc2ccc(C)cc2/C1=C/c1sc(=S)[nH]c1O.
What is the InChIKey of 5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The InChIKey is ZMUYOWFFZJUEIV-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-7-3-4-11-10(5-7)9(8(2)15-11)6-12-13(17)16-14(18)19-12/h3-6,17H,1-2H3,(H,16,18)/b9-6+.
What are the key properties of 5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione has a molecular weight of 288.40 g/mol, XLogP of 4.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 135447388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).