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

C12H11FN2O2S — CID 162729282

IUPAC5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide
SMILESCON(C)C(=O)c1cc(-c2ccc(F)cc2)sn1
InChIInChI=1S/C12H11FN2O2S/c1-15(17-2)12(16)10-7-11(18-14-10)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeyUXCVJGRNCGBXBB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.58
Rot. Bonds3

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

5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide (PubChem CID 162729282) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide
PubChem CID162729282
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide
SMILESCON(C)C(=O)c1cc(-c2ccc(F)cc2)sn1
InChIInChI=1S/C12H11FN2O2S/c1-15(17-2)12(16)10-7-11(18-14-10)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeyUXCVJGRNCGBXBB-UHFFFAOYSA-N
XLogP2.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.58
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 5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide (CID 162729282) is 5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide is CON(C)C(=O)c1cc(-c2ccc(F)cc2)sn1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is UXCVJGRNCGBXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-15(17-2)12(16)10-7-11(18-14-10)8-3-5-9(13)6-4-8/h3-7H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide?
5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 162729282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).