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

C12H10FNO2S — CID 15170574

IUPACethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H10FNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyZFFKADGHYYXMLY-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.13
Rot. Bonds3

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

ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 15170574) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID15170574
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Nameethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H10FNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyZFFKADGHYYXMLY-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-Phenyl-4-carboxythiazole
CID 138928
Ethyl 2-(4-nitrophenyl)thiazole-4-carboxylate
CID 3742475
1-(2-Phenyl-1,3-thiazol-4-yl)ethan-1-one
CID 604819
2-(4-Fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 4962882
{4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl pivalate
CID 2726701
Anithiactin A
CID 71081197
4-Phenylthiazole-2-carboxylic acid
CID 3878539
2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623074
2-(2,6-Difluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 24278454
2-Phenyl-1,3-thiazole-4-carbaldehyde
CID 736524
Ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate
CID 2737174

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 15170574) is ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ZFFKADGHYYXMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 15170574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).