(4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C13H15FN2O3S — CID 61200290

IUPAC(4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(Cc1cccc(F)c1)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C13H15FN2O3S/c1-15(6-9-3-2-4-10(14)5-9)13(19)16-8-20-7-11(16)12(17)18/h2-5,11H,6-8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyIRXFIRSYDPLZTP-NSHDSACASA-N
MW298.34 g/mol
LogP1.84
Rot. Bonds3

About (4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61200290) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is (4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61200290
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name(4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(Cc1cccc(F)c1)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C13H15FN2O3S/c1-15(6-9-3-2-4-10(14)5-9)13(19)16-8-20-7-11(16)12(17)18/h2-5,11H,6-8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyIRXFIRSYDPLZTP-NSHDSACASA-N
XLogP1.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61200560
3-[(4-chlorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61415002
3-[furan-2-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198091
(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61197717
N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 28802293
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 53211524
3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
(2R)-2-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010506

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61200290) is (4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CN(Cc1cccc(F)c1)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IRXFIRSYDPLZTP-NSHDSACASA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-15(6-9-3-2-4-10(14)5-9)13(19)16-8-20-7-11(16)12(17)18/h2-5,11H,6-8H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61200290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).