methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate

C12H10FNO2S — CID 103186492

IUPACmethyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate
SMILESCOC(=O)c1cc(F)cc(Cc2nccs2)c1
InChIInChI=1S/C12H10FNO2S/c1-16-12(15)9-4-8(5-10(13)7-9)6-11-14-2-3-17-11/h2-5,7H,6H2,1H3
InChIKeyBZQSNFGXPCUPJB-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.66
Rot. Bonds3

About methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate

methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate (PubChem CID 103186492) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate
PubChem CID103186492
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Namemethyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate
SMILESCOC(=O)c1cc(F)cc(Cc2nccs2)c1
InChIInChI=1S/C12H10FNO2S/c1-16-12(15)9-4-8(5-10(13)7-9)6-11-14-2-3-17-11/h2-5,7H,6H2,1H3
InChIKeyBZQSNFGXPCUPJB-UHFFFAOYSA-N
XLogP2.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-Thiazol-2-yl)benzoic acid
CID 21075087
2-{[(4-Fluorobenzoyl)oxy]ethanimidoyl}-1,3-thiazole
CID 5823053
2-{[(2-Fluorobenzoyl)oxy]ethanimidoyl}-1,3-thiazole
CID 9619308
1,3-Thiazol-5-ylmethyl 3-methylbenzenecarboxylate
CID 1488964
(2-Chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate
CID 1479747
Methyl 4-{[(2-chloro-1,3-thiazol-5-yl)methyl]sulfanyl}benzenecarboxylate
CID 1480680
[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] benzoate
CID 5860517
N-[(2,6-difluorobenzoyl)oxy]-N-[(Z)-1-(1,3-thiazol-2-yl)ethylidene]amine
CID 6346382
[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] 4-iodobenzoate
CID 44141914
2-[3-(1,3-Thiazole-2-carbonyl)phenyl]propanoic acid
CID 44427689
4-[(1,3-Thiazol-2-yl)methyl]benzoic acid
CID 79015754
4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester
CID 3427192

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate?
The IUPAC name of methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate (CID 103186492) is methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate.
What is the SMILES notation for methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate?
The canonical SMILES for methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate is COC(=O)c1cc(F)cc(Cc2nccs2)c1.
What is the InChIKey of methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate?
The InChIKey is BZQSNFGXPCUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-16-12(15)9-4-8(5-10(13)7-9)6-11-14-2-3-17-11/h2-5,7H,6H2,1H3.
What are the key properties of methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate?
methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate has a molecular weight of 251.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-(1,3-thiazol-2-ylmethyl)benzoate is sourced from PubChem (CID 103186492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).