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

C13H12FNO2S — CID 94276829

IUPACmethyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H12FNO2S/c1-17-13(16)7-11-8-18-12(15-11)6-9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyDYTSCVIKEXJYRP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.59
Rot. Bonds4

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

methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate (PubChem CID 94276829) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
PubChem CID94276829
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Namemethyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H12FNO2S/c1-17-13(16)7-11-8-18-12(15-11)6-9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyDYTSCVIKEXJYRP-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

2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119501988
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
methyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 78918624
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 110907848
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 48673152
(2R)-2-[[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 119368491
N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119523102
methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574724
1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089349
(3S)-3-[[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 97337275
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451715
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369833

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate (CID 94276829) is methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(Cc2ccc(F)cc2)n1.
What is the InChIKey of methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is DYTSCVIKEXJYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-17-13(16)7-11-8-18-12(15-11)6-9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(4-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-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 94276829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).