2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H15BrN4OS — CID 168576342

IUPAC2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C=NN=C2NC(=O)CS2)c(C)c2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C18H15BrN4OS/c1-9-5-11(7-20-23-18-22-15(24)8-25-18)10(2)16-13-6-12(19)3-4-14(13)21-17(9)16/h3-7,21H,8H2,1-2H3,(H,22,23,24)
InChIKeyUCVIVXSJIGOGGF-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.25
Rot. Bonds2

About 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576342) has the molecular formula C18H15BrN4OS and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576342
Molecular FormulaC18H15BrN4OS
Molecular Weight415.32 g/mol
Exact Mass414.01
IUPAC Name2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C=NN=C2NC(=O)CS2)c(C)c2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C18H15BrN4OS/c1-9-5-11(7-20-23-18-22-15(24)8-25-18)10(2)16-13-6-12(19)3-4-14(13)21-17(9)16/h3-7,21H,8H2,1-2H3,(H,22,23,24)
InChIKeyUCVIVXSJIGOGGF-UHFFFAOYSA-N
XLogP4.25
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine
CID 168592786
(2Z)-2-[(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135892890
(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878
2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573853
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576393
2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575890
2-[(2-chloro-3,5-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576582
2-[(6-methyl-1,3-benzodioxol-5-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574425
2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576126
[4-fluoro-2-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]boronic acid
CID 168574608

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576342) is 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1cc(C=NN=C2NC(=O)CS2)c(C)c2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is UCVIVXSJIGOGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4OS/c1-9-5-11(7-20-23-18-22-15(24)8-25-18)10(2)16-13-6-12(19)3-4-14(13)21-17(9)16/h3-7,21H,8H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 415.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).