4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide

C22H20ClFN2O2S — CID 60567460

IUPAC4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESCc1sc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O2S/c1-14-19(15-5-7-18(24)8-6-15)25-21(29-14)26-20(27)22(9-11-28-12-10-22)16-3-2-4-17(23)13-16/h2-8,13H,9-12H2,1H3,(H,25,26,27)
InChIKeyOFRPAJAPUFUYJY-UHFFFAOYSA-N
MW430.93 g/mol
LogP5.60
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide

4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide (PubChem CID 60567460) has the molecular formula C22H20ClFN2O2S and a molecular weight of 430.93 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide
PubChem CID60567460
Molecular FormulaC22H20ClFN2O2S
Molecular Weight430.93 g/mol
Exact Mass430.09
IUPAC Name4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESCc1sc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O2S/c1-14-19(15-5-7-18(24)8-6-15)25-21(29-14)26-20(27)22(9-11-28-12-10-22)16-3-2-4-17(23)13-16/h2-8,13H,9-12H2,1H3,(H,25,26,27)
InChIKeyOFRPAJAPUFUYJY-UHFFFAOYSA-N
XLogP5.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.93
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide (CID 60567460) is 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide is Cc1sc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide?
The InChIKey is OFRPAJAPUFUYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O2S/c1-14-19(15-5-7-18(24)8-6-15)25-21(29-14)26-20(27)22(9-11-28-12-10-22)16-3-2-4-17(23)13-16/h2-8,13H,9-12H2,1H3,(H,25,26,27).
What are the key properties of 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide?
4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide has a molecular weight of 430.93 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 60567460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).