N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide

C24H21ClN4O2S2 — CID 43025745

About N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide

N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 43025745) has the molecular formula C24H21ClN4O2S2 and a molecular weight of 497.05 g/mol. Its IUPAC name is N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
• PubChem CID: 43025745
• Molecular Formula: C24H21ClN4O2S2
• Molecular Weight: 497.05 g/mol
• Exact Mass: 496.08
• IUPAC Name: N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
• SMILES: CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2\NC(=S)N(c3ccc(Cl)cc3C)C2=O)cs1
• InChI: InChI=1S/C24H21ClN4O2S2/c1-13-5-7-19(10-14(13)2)28(16(4)30)24-26-18(12-33-24)11-20-22(31)29(23(32)27-20)21-8-6-17(25)9-15(21)3/h5-12H,1-4H3,(H,27,32)/b20-11-
• InChIKey: WSLILOBPWFMCAN-JAIQZWGSSA-N
• XLogP: 5.67
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.05
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?

The IUPAC name of N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide (CID 43025745) is N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide.

What is the SMILES notation for N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?

The canonical SMILES for N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide is CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2\NC(=S)N(c3ccc(Cl)cc3C)C2=O)cs1.

What is the InChIKey of N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?

The InChIKey is WSLILOBPWFMCAN-JAIQZWGSSA-N. The full InChI is InChI=1S/C24H21ClN4O2S2/c1-13-5-7-19(10-14(13)2)28(16(4)30)24-26-18(12-33-24)11-20-22(31)29(23(32)27-20)21-8-6-17(25)9-15(21)3/h5-12H,1-4H3,(H,27,32)/b20-11-.

What are the key properties of N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide?

N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 497.05 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 43025745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).