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

C12H11FN2O2S — CID 47137996

IUPACN-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(COc2ccccc2F)cs1
InChIInChI=1S/C12H11FN2O2S/c1-8(16)14-12-15-9(7-18-12)6-17-11-5-3-2-4-10(11)13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyVXHZNEXOOKSFQM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.82
Rot. Bonds4

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

N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 47137996) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID47137996
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(COc2ccccc2F)cs1
InChIInChI=1S/C12H11FN2O2S/c1-8(16)14-12-15-9(7-18-12)6-17-11-5-3-2-4-10(11)13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyVXHZNEXOOKSFQM-UHFFFAOYSA-N
XLogP2.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 55200988
2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole
CID 130552659
N-[4-[(4-chloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 46535229
2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 27396769
N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 29437348
4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66438656
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide
CID 9323740
4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 141083807
2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 155976896
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731955

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide (CID 47137996) is N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(COc2ccccc2F)cs1.
What is the InChIKey of N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VXHZNEXOOKSFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-8(16)14-12-15-9(7-18-12)6-17-11-5-3-2-4-10(11)13/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 47137996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).