N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide

C15H17FN2O2S — CID 95934089

IUPACN-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C
InChIInChI=1S/C15H17FN2O2S/c1-9(17-13(19)8-20-3)14-10(2)18-15(21-14)11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3,(H,17,19)/t9-/m1/s1
InChIKeyUPTWGISKJVKZGO-SECBINFHSA-N
MW308.38 g/mol
LogP3.08
Rot. Bonds5

About N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide

N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide (PubChem CID 95934089) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
PubChem CID95934089
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C
InChIInChI=1S/C15H17FN2O2S/c1-9(17-13(19)8-20-3)14-10(2)18-15(21-14)11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3,(H,17,19)/t9-/m1/s1
InChIKeyUPTWGISKJVKZGO-SECBINFHSA-N
XLogP3.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
CID 95769175
N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95339303
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 54593693
(2S)-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769044
(2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769043
(2R)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769045
3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
2,2-dimethyl-4-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 119133695
2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 119750102
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120631268
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-methoxyacetamide
CID 7531010
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119778561

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide (CID 95934089) is N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide is COCC(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C.
What is the InChIKey of N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide?
The InChIKey is UPTWGISKJVKZGO-SECBINFHSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9(17-13(19)8-20-3)14-10(2)18-15(21-14)11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3,(H,17,19)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide?
N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide has a molecular weight of 308.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 95934089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).