N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide

C17H13FN2O2S — CID 86907828

IUPACN-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1OCc1cscn1
InChIInChI=1S/C17H13FN2O2S/c18-12-5-7-13(8-6-12)20-17(21)15-3-1-2-4-16(15)22-9-14-10-23-11-19-14/h1-8,10-11H,9H2,(H,20,21)
InChIKeyGRLWBFMHJCWJCM-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.11
Rot. Bonds5

About N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 86907828) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID86907828
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC NameN-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1OCc1cscn1
InChIInChI=1S/C17H13FN2O2S/c18-12-5-7-13(8-6-12)20-17(21)15-3-1-2-4-16(15)22-9-14-10-23-11-19-14/h1-8,10-11H,9H2,(H,20,21)
InChIKeyGRLWBFMHJCWJCM-UHFFFAOYSA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86981514
N-(4-ethoxy-3-methoxyphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816507
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87004703
N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86979350
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907852
N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87042478
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
CID 16547793
N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679486

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 86907828) is N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(Nc1ccc(F)cc1)c1ccccc1OCc1cscn1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is GRLWBFMHJCWJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-12-5-7-13(8-6-12)20-17(21)15-3-1-2-4-16(15)22-9-14-10-23-11-19-14/h1-8,10-11H,9H2,(H,20,21).
What are the key properties of N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 328.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 86907828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).