N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide

C11H12F2N2OS — CID 103585937

IUPACN-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(F)c(NC(=O)C2CSCN2)cc1F
InChIInChI=1S/C11H12F2N2OS/c1-6-2-8(13)9(3-7(6)12)15-11(16)10-4-17-5-14-10/h2-3,10,14H,4-5H2,1H3,(H,15,16)
InChIKeyAXBNQSLBNONVDC-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.87
Rot. Bonds2

About N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide

N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 103585937) has the molecular formula C11H12F2N2OS and a molecular weight of 258.29 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID103585937
Molecular FormulaC11H12F2N2OS
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(F)c(NC(=O)C2CSCN2)cc1F
InChIInChI=1S/C11H12F2N2OS/c1-6-2-8(13)9(3-7(6)12)15-11(16)10-4-17-5-14-10/h2-3,10,14H,4-5H2,1H3,(H,15,16)
InChIKeyAXBNQSLBNONVDC-UHFFFAOYSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281208
methyl 2,4-difluoro-5-(1,3-thiazolidine-4-carbonylamino)benzoate
CID 43712858
N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43708243
N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262947
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-thiazolidine-4-carboxamide
CID 43709593
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 107574265
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43122672

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide (CID 103585937) is N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1cc(F)c(NC(=O)C2CSCN2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is AXBNQSLBNONVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2OS/c1-6-2-8(13)9(3-7(6)12)15-11(16)10-4-17-5-14-10/h2-3,10,14H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 258.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103585937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).