N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C11H13N3O2S2 — CID 175905532

IUPACN-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1/NC(=O)C(CC(=O)Nc2cc(C)c(C)s2)S1
InChIInChI=1S/C11H13N3O2S2/c1-5-3-9(17-6(5)2)13-8(15)4-7-10(16)14-11(12)18-7/h3,7H,4H2,1-2H3,(H,13,15)(H2,12,14,16)
InChIKeyIIVJJQKRBDEBBK-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.86
Rot. Bonds3

About N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 175905532) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID175905532
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1/NC(=O)C(CC(=O)Nc2cc(C)c(C)s2)S1
InChIInChI=1S/C11H13N3O2S2/c1-5-3-9(17-6(5)2)13-8(15)4-7-10(16)14-11(12)18-7/h3,7H,4H2,1-2H3,(H,13,15)(H2,12,14,16)
InChIKeyIIVJJQKRBDEBBK-UHFFFAOYSA-N
XLogP1.86
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 171128042
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 86261442
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 154776623
N-(2,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 138376746
N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 140511243
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 138376642
methyl 2-[[2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
CID 140511252
N-(3-chloro-4-methoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 137318984
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 138376647
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 166435878
N-(3-ethynylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 140511238
2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 146674629

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 175905532) is N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is [H]/N=C1/NC(=O)C(CC(=O)Nc2cc(C)c(C)s2)S1.
What is the InChIKey of N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is IIVJJQKRBDEBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-5-3-9(17-6(5)2)13-8(15)4-7-10(16)14-11(12)18-7/h3,7H,4H2,1-2H3,(H,13,15)(H2,12,14,16).
What are the key properties of N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 175905532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).