methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

C12H10FNO2S — CID 56666533

IUPACmethyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2F)nc1C
InChIInChI=1S/C12H10FNO2S/c1-7-10(12(15)16-2)17-11(14-7)8-5-3-4-6-9(8)13/h3-6H,1-2H3
InChIKeyPBJSGUVSSLIRDQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.04
Rot. Bonds2

About methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 56666533) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID56666533
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Namemethyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2F)nc1C
InChIInChI=1S/C12H10FNO2S/c1-7-10(12(15)16-2)17-11(14-7)8-5-3-4-6-9(8)13/h3-6H,1-2H3
InChIKeyPBJSGUVSSLIRDQ-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 540397
Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 2743970
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 2763625
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2768679
Ethyl 5-acetyl-2-phenylthiazole-4-carboxylate
CID 2745356
Methyl 4-(dibromomethyl)-2-(4-chlorophenyl)thiazole-5-carboxylate
CID 24951029
Ethyl 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 59226310
4-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acid
CID 2775663
2-(2-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1486890
2-(2-Fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980371
Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 7131013

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 56666533) is methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccccc2F)nc1C.
What is the InChIKey of methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PBJSGUVSSLIRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-7-10(12(15)16-2)17-11(14-7)8-5-3-4-6-9(8)13/h3-6H,1-2H3.
What are the key properties of methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 56666533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).