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

C12H11FN2O2S — CID 647033

IUPACethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C12H11FN2O2S/c1-2-17-12(16)11-9(14)10(15-18-11)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3
InChIKeyMSAJPWUZVXXYQR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.71
Rot. Bonds3

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

ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate (PubChem CID 647033) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
PubChem CID647033
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Nameethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C12H11FN2O2S/c1-2-17-12(16)11-9(14)10(15-18-11)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3
InChIKeyMSAJPWUZVXXYQR-UHFFFAOYSA-N
XLogP2.71
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate (CID 647033) is ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate is CCOC(=O)c1snc(-c2ccc(F)cc2)c1N.
What is the InChIKey of ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate?
The InChIKey is MSAJPWUZVXXYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-2-17-12(16)11-9(14)10(15-18-11)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3.
What are the key properties of ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate?
ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 647033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).