2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide

C12H11FN2O3S — CID 33104782

IUPAC2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
SMILESCONC(=O)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O3S/c1-17-15-12(16)10-7-19-11(14-10)6-18-9-4-2-8(13)3-5-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyHRONUTVVJZAPCP-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.15
Rot. Bonds5

About 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide

2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide (PubChem CID 33104782) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
PubChem CID33104782
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
SMILESCONC(=O)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O3S/c1-17-15-12(16)10-7-19-11(14-10)6-18-9-4-2-8(13)3-5-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyHRONUTVVJZAPCP-UHFFFAOYSA-N
XLogP2.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
N-[(2S)-butan-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158727
2-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24671807
2-[(4-fluorophenoxy)methyl]-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24671861
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672336
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105822
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672411
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835469
2-[(4-fluorophenoxy)methyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24672763

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide (CID 33104782) is 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide is CONC(=O)c1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide?
The InChIKey is HRONUTVVJZAPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-17-15-12(16)10-7-19-11(14-10)6-18-9-4-2-8(13)3-5-9/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 33104782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).