2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C12H10F3N3O2S — CID 138376642

IUPAC2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)Nc2ccc(C(F)(F)F)cc2)S1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)6-1-3-7(4-2-6)17-9(19)5-8-10(20)18-11(16)21-8/h1-4,8H,5H2,(H,17,19)(H2,16,18,20)
InChIKeyTUVNENIJWLJKPN-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 138376642) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID138376642
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)Nc2ccc(C(F)(F)F)cc2)S1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)6-1-3-7(4-2-6)17-9(19)5-8-10(20)18-11(16)21-8/h1-4,8H,5H2,(H,17,19)(H2,16,18,20)
InChIKeyTUVNENIJWLJKPN-UHFFFAOYSA-N
XLogP2.20
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 138376647
N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 140511243
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1069348
N-(3,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 171128042
N-(3-chloro-4-methoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 137318984
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
N-(3-ethynylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 140511238
N-(4-acetamidophenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1093113
N-(2,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 138376746
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1300512
N-(4-ethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 2972384
N-(4-acetylphenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1193301

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 138376642) is 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is [H]/N=C1\NC(=O)C(CC(=O)Nc2ccc(C(F)(F)F)cc2)S1.
What is the InChIKey of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TUVNENIJWLJKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)6-1-3-7(4-2-6)17-9(19)5-8-10(20)18-11(16)21-8/h1-4,8H,5H2,(H,17,19)(H2,16,18,20).
What are the key properties of 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 317.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 138376642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).