N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C18H15FN2OS — CID 9232879

IUPACN-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1ccccc1
InChIInChI=1S/C18H15FN2OS/c19-15-8-6-14(7-9-15)16-12-23-18(21-16)10-17(22)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyCCPUMOUKBIRFHT-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.81
Rot. Bonds5

About N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 9232879) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID9232879
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1ccccc1
InChIInChI=1S/C18H15FN2OS/c19-15-8-6-14(7-9-15)16-12-23-18(21-16)10-17(22)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyCCPUMOUKBIRFHT-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
2-(4-fluorophenyl)-N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110393662
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804
N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 9233028
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 43320091
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 86789142
2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-benzylacetamide
CID 9232946
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 9232879) is N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CCPUMOUKBIRFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c19-15-8-6-14(7-9-15)16-12-23-18(21-16)10-17(22)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9232879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).