methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate

C12H13FN2O3S — CID 7997288

IUPACmethyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CSCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S/c1-18-11(16)10-6-19-7-15(10)12(17)14-9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3,(H,14,17)/t10-/m1/s1
InChIKeySWBUEJYUBMHGQS-SNVBAGLBSA-N
MW284.31 g/mol
LogP1.91
Rot. Bonds2

About methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate

methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 7997288) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
PubChem CID7997288
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Namemethyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CSCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S/c1-18-11(16)10-6-19-7-15(10)12(17)14-9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3,(H,14,17)/t10-/m1/s1
InChIKeySWBUEJYUBMHGQS-SNVBAGLBSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate (CID 7997288) is methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate is COC(=O)[C@H]1CSCN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is SWBUEJYUBMHGQS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-18-11(16)10-6-19-7-15(10)12(17)14-9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3,(H,14,17)/t10-/m1/s1.
What are the key properties of methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 7997288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).