N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide

C16H20FN3OS — CID 67346525

IUPACN-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1F)C1CS/C(=N\C2CC2)N1C
InChIInChI=1S/C16H20FN3OS/c1-10-4-7-14(13(17)8-10)20(11(2)21)15-9-22-16(19(15)3)18-12-5-6-12/h4,7-8,12,15H,5-6,9H2,1-3H3/b18-16-
InChIKeyYFFUOFNCEYUCIR-VLGSPTGOSA-N
MW321.42 g/mol
LogP3.01
Rot. Bonds3

About N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide

N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 67346525) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID67346525
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC NameN-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1F)C1CS/C(=N\C2CC2)N1C
InChIInChI=1S/C16H20FN3OS/c1-10-4-7-14(13(17)8-10)20(11(2)21)15-9-22-16(19(15)3)18-12-5-6-12/h4,7-8,12,15H,5-6,9H2,1-3H3/b18-16-
InChIKeyYFFUOFNCEYUCIR-VLGSPTGOSA-N
XLogP3.01
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 67349516
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 67346263
N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
CID 67348536
N-(4-bromophenyl)-N-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350350
N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348470
N-(2-cyclohexylimino-3-ethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
CID 67346290
N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 67350802
N-(4-chlorophenyl)-N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)acetamide;hydrochloride
CID 67348276
N-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride
CID 87366548
N-[2-(1-adamantylimino)-3-butyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 67349344
N-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide;hydrochloride
CID 67348356
N-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 67351312

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide (CID 67346525) is N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide is CC(=O)N(c1ccc(C)cc1F)C1CS/C(=N\C2CC2)N1C.
What is the InChIKey of N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is YFFUOFNCEYUCIR-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-10-4-7-14(13(17)8-10)20(11(2)21)15-9-22-16(19(15)3)18-12-5-6-12/h4,7-8,12,15H,5-6,9H2,1-3H3/b18-16-.
What are the key properties of N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 67346525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).