(4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide

C12H13FN2O2S — CID 25258129

IUPAC(4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCON(C)C(=O)[C@@H]1CSC(c2ccc(F)cc2)=N1
InChIInChI=1S/C12H13FN2O2S/c1-15(17-2)12(16)10-7-18-11(14-10)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3/t10-/m0/s1
InChIKeyVLYWRFPIFXNHKE-JTQLQIEISA-N
MW268.31 g/mol
LogP1.71
Rot. Bonds3

About (4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide

(4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 25258129) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is (4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID25258129
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC Name(4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCON(C)C(=O)[C@@H]1CSC(c2ccc(F)cc2)=N1
InChIInChI=1S/C12H13FN2O2S/c1-15(17-2)12(16)10-7-18-11(14-10)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3/t10-/m0/s1
InChIKeyVLYWRFPIFXNHKE-JTQLQIEISA-N
XLogP1.71
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of (4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 25258129) is (4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for (4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for (4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide is CON(C)C(=O)[C@@H]1CSC(c2ccc(F)cc2)=N1.
What is the InChIKey of (4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is VLYWRFPIFXNHKE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13FN2O2S/c1-15(17-2)12(16)10-7-18-11(14-10)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
(4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-fluorophenyl)-N-methoxy-N-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25258129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).