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

C22H17FN2OS — CID 46943508

IUPACN-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H17FN2OS/c1-14(26)24-21(18-7-4-8-19(23)12-18)22-25-20(13-27-22)17-10-9-15-5-2-3-6-16(15)11-17/h2-13,21H,1H3,(H,24,26)
InChIKeyBOYLGXYJDQKAAT-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.33
Rot. Bonds4

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

N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 46943508) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID46943508
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC NameN-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H17FN2OS/c1-14(26)24-21(18-7-4-8-19(23)12-18)22-25-20(13-27-22)17-10-9-15-5-2-3-6-16(15)11-17/h2-13,21H,1H3,(H,24,26)
InChIKeyBOYLGXYJDQKAAT-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide (CID 46943508) is N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide is CC(=O)NC(c1cccc(F)c1)c1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is BOYLGXYJDQKAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c1-14(26)24-21(18-7-4-8-19(23)12-18)22-25-20(13-27-22)17-10-9-15-5-2-3-6-16(15)11-17/h2-13,21H,1H3,(H,24,26).
What are the key properties of N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 46943508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).