(5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C24H18N2O2S2 — CID 155524487

IUPAC(5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)c3ccccc3n4C)SC2=S)c1
InChIInChI=1S/C24H18N2O2S2/c1-25-20-9-4-3-8-18(20)19-12-15(10-11-21(19)25)13-22-23(27)26(24(29)30-22)16-6-5-7-17(14-16)28-2/h3-14H,1-2H3/b22-13-
InChIKeyVELBZVBJZGPKBI-XKZIYDEJSA-N
MW430.55 g/mol
LogP5.75
Rot. Bonds3

About (5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 155524487) has the molecular formula C24H18N2O2S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID155524487
Molecular FormulaC24H18N2O2S2
Molecular Weight430.55 g/mol
Exact Mass430.08
IUPAC Name(5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)c3ccccc3n4C)SC2=S)c1
InChIInChI=1S/C24H18N2O2S2/c1-25-20-9-4-3-8-18(20)19-12-15(10-11-21(19)25)13-22-23(27)26(24(29)30-22)16-6-5-7-17(14-16)28-2/h3-14H,1-2H3/b22-13-
InChIKeyVELBZVBJZGPKBI-XKZIYDEJSA-N
XLogP5.75
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 155524487) is (5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)c3ccccc3n4C)SC2=S)c1.
What is the InChIKey of (5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is VELBZVBJZGPKBI-XKZIYDEJSA-N. The full InChI is InChI=1S/C24H18N2O2S2/c1-25-20-9-4-3-8-18(20)19-12-15(10-11-21(19)25)13-22-23(27)26(24(29)30-22)16-6-5-7-17(14-16)28-2/h3-14H,1-2H3/b22-13-.
What are the key properties of (5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 430.55 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-methoxyphenyl)-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 155524487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).