5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione

C18H15N2O2S+ — CID 90994693

IUPAC5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC[N+]1(C=C2SC(=O)NC2=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H14N2O2S/c1-2-20(11-16-17(21)19-18(22)23-16)14-9-5-3-7-12(14)13-8-4-6-10-15(13)20/h3-11H,2H2,1H3/p+1
InChIKeyHKMWIDRVQSDGKZ-UHFFFAOYSA-O
MW323.40 g/mol
LogP4.15
Rot. Bonds2

About 5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione

5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 90994693) has the molecular formula C18H15N2O2S+ and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID90994693
Molecular FormulaC18H15N2O2S+
Molecular Weight323.40 g/mol
Exact Mass323.08
IUPAC Name5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC[N+]1(C=C2SC(=O)NC2=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H14N2O2S/c1-2-20(11-16-17(21)19-18(22)23-16)14-9-5-3-7-12(14)13-8-4-6-10-15(13)20/h3-11H,2H2,1H3/p+1
InChIKeyHKMWIDRVQSDGKZ-UHFFFAOYSA-O
XLogP4.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-ethylidene-1,3-thiazolidine-2,4-dione
CID 23128889
(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1327232
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71296821
(5Z)-5-[(2-heptoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 44665705
(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
(5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 143165547
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
(5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87385706
(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 11580302
ethyl 2-[2-[(1Z,2Z)-1,2-bis(2,4-dioxo-1,3-thiazolidin-5-ylidene)ethyl]phenoxy]acetate
CID 141245666
N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 2905869

Frequently Asked Questions

What is the IUPAC name of 5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 90994693) is 5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione is CC[N+]1(C=C2SC(=O)NC2=O)c2ccccc2-c2ccccc21.
What is the InChIKey of 5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HKMWIDRVQSDGKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14N2O2S/c1-2-20(11-16-17(21)19-18(22)23-16)14-9-5-3-7-12(14)13-8-4-6-10-15(13)20/h3-11H,2H2,1H3/p+1.
What are the key properties of 5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione?
5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 323.40 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9-ethylcarbazol-9-ium-9-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 90994693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).