N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide

C18H16FN3O2S — CID 46948489

IUPACN-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2csc(C(NC(C)=O)c3cccc(F)c3)n2)cn1
InChIInChI=1S/C18H16FN3O2S/c1-11(23)21-17(12-4-3-5-14(19)8-12)18-22-15(10-25-18)13-6-7-16(24-2)20-9-13/h3-10,17H,1-2H3,(H,21,23)
InChIKeyKKLJBDYAMUOCNR-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.58
Rot. Bonds5

About N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide

N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 46948489) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID46948489
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2csc(C(NC(C)=O)c3cccc(F)c3)n2)cn1
InChIInChI=1S/C18H16FN3O2S/c1-11(23)21-17(12-4-3-5-14(19)8-12)18-22-15(10-25-18)13-6-7-16(24-2)20-9-13/h3-10,17H,1-2H3,(H,21,23)
InChIKeyKKLJBDYAMUOCNR-UHFFFAOYSA-N
XLogP3.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 2646355
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
(R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9947512
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 10094283
(R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10132882
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
CID 10364476
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 10475456
3-(4-Cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
CID 10949738
(2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497024
6-(2,4-Dimethoxypyridin-3-yl)-1-((2-phenylthiazol-4-yl)methyl)piperidin-2-one
CID 69081444
4-[2-[4-(6-methoxy-3-pyridyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]thiazol-4-yl]benzonitrile
CID 71504236

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 46948489) is N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide is COc1ccc(-c2csc(C(NC(C)=O)c3cccc(F)c3)n2)cn1.
What is the InChIKey of N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is KKLJBDYAMUOCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-11(23)21-17(12-4-3-5-14(19)8-12)18-22-15(10-25-18)13-6-7-16(24-2)20-9-13/h3-10,17H,1-2H3,(H,21,23).
What are the key properties of N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide?
N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 46948489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).