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

C18H14F2N2O2S — CID 46149440

IUPAC2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H14F2N2O2S/c19-13-4-6-15(7-5-13)24-10-17-22-16(11-25-17)18(23)21-9-12-2-1-3-14(20)8-12/h1-8,11H,9-10H2,(H,21,23)
InChIKeyUWMDNYRHQSMUNQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.93
Rot. Bonds6

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

2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46149440) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46149440
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H14F2N2O2S/c19-13-4-6-15(7-5-13)24-10-17-22-16(11-25-17)18(23)21-9-12-2-1-3-14(20)8-12/h1-8,11H,9-10H2,(H,21,23)
InChIKeyUWMDNYRHQSMUNQ-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
2-[(2,6-dimethoxyphenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46003459
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24712458
N-[2-[(3-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105843
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46164923
N-benzyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003395
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066956
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42865798
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066945

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 46149440) is 2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1cccc(F)c1)c1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UWMDNYRHQSMUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c19-13-4-6-15(7-5-13)24-10-17-22-16(11-25-17)18(23)21-9-12-2-1-3-14(20)8-12/h1-8,11H,9-10H2,(H,21,23).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46149440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).