N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide

C17H13ClN2O2S — CID 16741733

IUPACN-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide
SMILESCc1cccc(C(=O)/N=C2\SCC(=O)N2c2cccc(Cl)c2)c1
InChIInChI=1S/C17H13ClN2O2S/c1-11-4-2-5-12(8-11)16(22)19-17-20(15(21)10-23-17)14-7-3-6-13(18)9-14/h2-9H,10H2,1H3/b19-17-
InChIKeyMQUOCUJPXQDJCO-ZPHPHTNESA-N
MW344.82 g/mol
LogP3.92
Rot. Bonds2

About N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide

N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide (PubChem CID 16741733) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide
PubChem CID16741733
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC NameN-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide
SMILESCc1cccc(C(=O)/N=C2\SCC(=O)N2c2cccc(Cl)c2)c1
InChIInChI=1S/C17H13ClN2O2S/c1-11-4-2-5-12(8-11)16(22)19-17-20(15(21)10-23-17)14-7-3-6-13(18)9-14/h2-9H,10H2,1H3/b19-17-
InChIKeyMQUOCUJPXQDJCO-ZPHPHTNESA-N
XLogP3.92
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 1382324
3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 134815215
methyl (2E)-2-[3-(3-chlorophenyl)-2-(4-methylbenzoyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 90668337
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide
CID 1379458
methyl 2-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
CID 123189501
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
3-(2,5-dioxopyrrolidin-1-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3495808
(2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one
CID 10598471
1-(3-chlorophenyl)-4-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 55575327
N-[(3aR,6aS)-3-(3,4-dimethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbenzamide
CID 8833441
N-[(3aR,6aR)-3-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]benzamide
CID 7312494
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167458161

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide?
The IUPAC name of N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide (CID 16741733) is N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide is Cc1cccc(C(=O)/N=C2\SCC(=O)N2c2cccc(Cl)c2)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide?
The InChIKey is MQUOCUJPXQDJCO-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-11-4-2-5-12(8-11)16(22)19-17-20(15(21)10-23-17)14-7-3-6-13(18)9-14/h2-9H,10H2,1H3/b19-17-.
What are the key properties of N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide?
N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide has a molecular weight of 344.82 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methylbenzamide is sourced from PubChem (CID 16741733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).