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

C16H13FN2O3S — CID 24712458

IUPAC2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(COc2cccc(F)c2)n1
InChIInChI=1S/C16H13FN2O3S/c17-11-3-1-4-12(7-11)22-9-15-19-14(10-23-15)16(20)18-8-13-5-2-6-21-13/h1-7,10H,8-9H2,(H,18,20)
InChIKeyTUGQNBHEDMHVHZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.38
Rot. Bonds6

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

2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 24712458) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID24712458
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(COc2cccc(F)c2)n1
InChIInChI=1S/C16H13FN2O3S/c17-11-3-1-4-12(7-11)22-9-15-19-14(10-23-15)16(20)18-8-13-5-2-6-21-13/h1-7,10H,8-9H2,(H,18,20)
InChIKeyTUGQNBHEDMHVHZ-UHFFFAOYSA-N
XLogP3.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42866141
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066774
2-[[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42860075
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46434002
N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065753
N-benzyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003395
N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342067
2-[(2,6-dimethoxyphenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46003459
N-[2-[(3-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105843
2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865996
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835469

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 24712458) is 2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccco1)c1csc(COc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is TUGQNBHEDMHVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c17-11-3-1-4-12(7-11)22-9-15-19-14(10-23-15)16(20)18-8-13-5-2-6-21-13/h1-7,10H,8-9H2,(H,18,20).
What are the key properties of 2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).