2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C20H19FN2O3S — CID 16616529

IUPAC2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C20H19FN2O3S/c1-12-4-9-17(25-3)16(10-12)23-20(24)19-13(2)22-18(27-19)11-26-15-7-5-14(21)6-8-15/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyUPJYKWDEBZBWDO-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.74
Rot. Bonds6

About 2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16616529) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16616529
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C20H19FN2O3S/c1-12-4-9-17(25-3)16(10-12)23-20(24)19-13(2)22-18(27-19)11-26-15-7-5-14(21)6-8-15/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyUPJYKWDEBZBWDO-UHFFFAOYSA-N
XLogP4.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 16616529) is 2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(C)cc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UPJYKWDEBZBWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-12-4-9-17(25-3)16(10-12)23-20(24)19-13(2)22-18(27-19)11-26-15-7-5-14(21)6-8-15/h4-10H,11H2,1-3H3,(H,23,24).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.74, 6 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-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16616529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).