4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide

C13H12ClFN2O4S — CID 119052121

IUPAC4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2s[nH]c(=O)c2Cl)cc1F
InChIInChI=1S/C13H12ClFN2O4S/c1-20-4-5-21-9-3-2-7(6-8(9)15)16-13(19)11-10(14)12(18)17-22-11/h2-3,6H,4-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyFNOTYSZIVILQKZ-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.51
Rot. Bonds6

About 4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide

4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide (PubChem CID 119052121) has the molecular formula C13H12ClFN2O4S and a molecular weight of 346.77 g/mol. Its IUPAC name is 4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide
PubChem CID119052121
Molecular FormulaC13H12ClFN2O4S
Molecular Weight346.77 g/mol
Exact Mass346.02
IUPAC Name4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2s[nH]c(=O)c2Cl)cc1F
InChIInChI=1S/C13H12ClFN2O4S/c1-20-4-5-21-9-3-2-7(6-8(9)15)16-13(19)11-10(14)12(18)17-22-11/h2-3,6H,4-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyFNOTYSZIVILQKZ-UHFFFAOYSA-N
XLogP2.51
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 119747542
2-[3-fluoro-4-(2-methoxyethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168608748
N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
CID 60574223
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610
ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate
CID 75510521
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
N-[4-[[3-chloro-4-(2-methoxyethoxy)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
CID 10299114
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
2-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 127267538
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide (CID 119052121) is 4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide is COCCOc1ccc(NC(=O)c2s[nH]c(=O)c2Cl)cc1F.
What is the InChIKey of 4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide?
The InChIKey is FNOTYSZIVILQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O4S/c1-20-4-5-21-9-3-2-7(6-8(9)15)16-13(19)11-10(14)12(18)17-22-11/h2-3,6H,4-5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide?
4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide has a molecular weight of 346.77 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 119052121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).