2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C17H17N3O2S3 — CID 17033483

IUPAC2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)CN3C(=O)C(C)SC3=S)s2)c1
InChIInChI=1S/C17H17N3O2S3/c1-10-4-3-5-12(6-10)7-13-8-18-16(25-13)19-14(21)9-20-15(22)11(2)24-17(20)23/h3-6,8,11H,7,9H2,1-2H3,(H,18,19,21)
InChIKeyKXFBWUVHZUMIHV-UHFFFAOYSA-N
MW391.54 g/mol
LogP3.23
Rot. Bonds5

About 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 17033483) has the molecular formula C17H17N3O2S3 and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID17033483
Molecular FormulaC17H17N3O2S3
Molecular Weight391.54 g/mol
Exact Mass391.05
IUPAC Name2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)CN3C(=O)C(C)SC3=S)s2)c1
InChIInChI=1S/C17H17N3O2S3/c1-10-4-3-5-12(6-10)7-13-8-18-16(25-13)19-14(21)9-20-15(22)11(2)24-17(20)23/h3-6,8,11H,7,9H2,1-2H3,(H,18,19,21)
InChIKeyKXFBWUVHZUMIHV-UHFFFAOYSA-N
XLogP3.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033490
4-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 17033829
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 26011114
2-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 6201751
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9116676
2-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 4758093
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18135337
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827605
4-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 2248066

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 17033483) is 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1cccc(Cc2cnc(NC(=O)CN3C(=O)C(C)SC3=S)s2)c1.
What is the InChIKey of 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KXFBWUVHZUMIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S3/c1-10-4-3-5-12(6-10)7-13-8-18-16(25-13)19-14(21)9-20-15(22)11(2)24-17(20)23/h3-6,8,11H,7,9H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 391.54 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 17033483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).