4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

C19H13ClN4O2S2 — CID 4762667

IUPAC4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
SMILESCn1c(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)nc2ccccc21
InChIInChI=1S/C19H13ClN4O2S2/c1-23-14-5-3-2-4-13(14)21-16(23)10-15-18(26)24(19(27)28-15)22-17(25)11-6-8-12(20)9-7-11/h2-10H,1H3,(H,22,25)
InChIKeyDGOQZLQJZMAIDL-UHFFFAOYSA-N
MW428.93 g/mol
LogP3.77
Rot. Bonds3

About 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide (PubChem CID 4762667) has the molecular formula C19H13ClN4O2S2 and a molecular weight of 428.93 g/mol. Its IUPAC name is 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
PubChem CID4762667
Molecular FormulaC19H13ClN4O2S2
Molecular Weight428.93 g/mol
Exact Mass428.02
IUPAC Name4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
SMILESCn1c(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)nc2ccccc21
InChIInChI=1S/C19H13ClN4O2S2/c1-23-14-5-3-2-4-13(14)21-16(23)10-15-18(26)24(19(27)28-15)22-17(25)11-6-8-12(20)9-7-11/h2-10H,1H3,(H,22,25)
InChIKeyDGOQZLQJZMAIDL-UHFFFAOYSA-N
XLogP3.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.93
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(5Z)-5-[(1-ethylindol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 126347843
4-chloro-N-[(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 126349388
4-chloro-N-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 19164984
4-chloro-N-[(5E)-4-oxo-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 126354416
4-chloro-N-[(5E)-4-oxo-5-[(2-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 19200652
N-[5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide
CID 1359029
3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4762707
4-bromo-N-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 1369027
N-[5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide
CID 4067376
4-chloro-N-[(5Z)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 126352700
4-methoxy-N-[5-[(1-methylindol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 4201723
N-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
CID 1397774

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide (CID 4762667) is 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is Cn1c(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide?
The InChIKey is DGOQZLQJZMAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2S2/c1-23-14-5-3-2-4-13(14)21-16(23)10-15-18(26)24(19(27)28-15)22-17(25)11-6-8-12(20)9-7-11/h2-10H,1H3,(H,22,25).
What are the key properties of 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide?
4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide has a molecular weight of 428.93 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is sourced from PubChem (CID 4762667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).