methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C11H8FNO2S — CID 67325329

IUPACmethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H8FNO2S/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKeyFSVPWBHNWNRJRL-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.74
Rot. Bonds2

About methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 67325329) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID67325329
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Namemethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H8FNO2S/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKeyFSVPWBHNWNRJRL-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate 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

1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate
CID 58119370
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824550
methyl 2-(6-bromo-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498453
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78814304
methyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 78918624
[2-oxo-2-(propylamino)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824438
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135820
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824461
methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
CID 166448386
(3-methoxycyclohexyl) 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 78814618

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 67325329) is methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is FSVPWBHNWNRJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-6H,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 67325329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).