3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione

C22H16N2OS2 — CID 123717884

IUPAC3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1-c1ccc(Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C22H16N2OS2/c25-21-14-27-22(26)24(21)16-11-9-15(10-12-16)13-23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-12,14,25H,13H2
InChIKeyJCEOXTNHGRWVDI-UHFFFAOYSA-N
MW388.52 g/mol
LogP6.13
Rot. Bonds3

About 3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione

3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 123717884) has the molecular formula C22H16N2OS2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione
PubChem CID123717884
Molecular FormulaC22H16N2OS2
Molecular Weight388.52 g/mol
Exact Mass388.07
IUPAC Name3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1-c1ccc(Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C22H16N2OS2/c25-21-14-27-22(26)24(21)16-11-9-15(10-12-16)13-23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-12,14,25H,13H2
InChIKeyJCEOXTNHGRWVDI-UHFFFAOYSA-N
XLogP6.13
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione (CID 123717884) is 3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione is Oc1csc(=S)n1-c1ccc(Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is JCEOXTNHGRWVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2OS2/c25-21-14-27-22(26)24(21)16-11-9-15(10-12-16)13-23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-12,14,25H,13H2.
What are the key properties of 3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione?
3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 388.52 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 123717884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).