methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate

C13H12FNO2S — CID 79016822

IUPACmethyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(Cc2ccccc2F)n1
InChIInChI=1S/C13H12FNO2S/c1-17-13(16)7-10-8-18-12(15-10)6-9-4-2-3-5-11(9)14/h2-5,8H,6-7H2,1H3
InChIKeyOMGXVBWUHSZVKQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.59
Rot. Bonds4

About methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate (PubChem CID 79016822) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
PubChem CID79016822
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Namemethyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(Cc2ccccc2F)n1
InChIInChI=1S/C13H12FNO2S/c1-17-13(16)7-10-8-18-12(15-10)6-9-4-2-3-5-11(9)14/h2-5,8H,6-7H2,1H3
InChIKeyOMGXVBWUHSZVKQ-UHFFFAOYSA-N
XLogP2.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 94276829
methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 112724634
1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089271
methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 53263554
methyl 2-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]acetate
CID 80574289
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
CID 112691564
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone
CID 159048062
methyl 2-[2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-4-yl]acetate
CID 80574100
2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide
CID 111433392
N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 63935765

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate (CID 79016822) is methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(Cc2ccccc2F)n1.
What is the InChIKey of methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is OMGXVBWUHSZVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-17-13(16)7-10-8-18-12(15-10)6-9-4-2-3-5-11(9)14/h2-5,8H,6-7H2,1H3.
What are the key properties of methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 265.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 79016822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).