4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid

C12H12F2N2O3S — CID 82900784

IUPAC4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O3S/c13-7-1-2-9(8(14)5-7)15-12(19)16-3-4-20-6-10(16)11(17)18/h1-2,5,10H,3-4,6H2,(H,15,19)(H,17,18)
InChIKeyFRSTXVMTVLVILF-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.00
Rot. Bonds2

About 4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid

4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid (PubChem CID 82900784) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
PubChem CID82900784
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC Name4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O3S/c13-7-1-2-9(8(14)5-7)15-12(19)16-3-4-20-6-10(16)11(17)18/h1-2,5,10H,3-4,6H2,(H,15,19)(H,17,18)
InChIKeyFRSTXVMTVLVILF-UHFFFAOYSA-N
XLogP2.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyano-4-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906656
4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82901283
4-[(2,3-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904395
4-[(3-fluoro-4-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904708
3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184642
4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 114254248
4-[(4-bromo-2-ethylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906247
4-[(2,5-dichloro-4-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 104727745
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351
4-[(2-bromo-3-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906447
4-[(2,6-dichlorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906756
N-(2-chloro-4-fluorophenyl)-3-(hydroxymethyl)thiomorpholine-4-carboxamide
CID 75437498

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid (CID 82900784) is 4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The InChIKey is FRSTXVMTVLVILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c13-7-1-2-9(8(14)5-7)15-12(19)16-3-4-20-6-10(16)11(17)18/h1-2,5,10H,3-4,6H2,(H,15,19)(H,17,18).
What are the key properties of 4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid?
4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid has a molecular weight of 302.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82900784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).