2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide

C16H19FN2O2S — CID 95769175

IUPAC2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
SMILESCCOCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C
InChIInChI=1S/C16H19FN2O2S/c1-4-21-9-14(20)18-10(2)15-11(3)19-16(22-15)12-7-5-6-8-13(12)17/h5-8,10H,4,9H2,1-3H3,(H,18,20)/t10-/m0/s1
InChIKeyRGIPLIBOHBPSTP-JTQLQIEISA-N
MW322.41 g/mol
LogP3.47
Rot. Bonds6

About 2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide

2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide (PubChem CID 95769175) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
PubChem CID95769175
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC Name2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
SMILESCCOCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C
InChIInChI=1S/C16H19FN2O2S/c1-4-21-9-14(20)18-10(2)15-11(3)19-16(22-15)12-7-5-6-8-13(12)17/h5-8,10H,4,9H2,1-3H3,(H,18,20)/t10-/m0/s1
InChIKeyRGIPLIBOHBPSTP-JTQLQIEISA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95934089
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
N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95339303
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
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pentanamide
CID 120562789
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide (CID 95769175) is 2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide is CCOCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C.
What is the InChIKey of 2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The InChIKey is RGIPLIBOHBPSTP-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-4-21-9-14(20)18-10(2)15-11(3)19-16(22-15)12-7-5-6-8-13(12)17/h5-8,10H,4,9H2,1-3H3,(H,18,20)/t10-/m0/s1.
What are the key properties of 2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 95769175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).