ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate

C12H10ClFN2O2S — CID 53271473

IUPACethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)sc1-c1c(F)cccc1Cl
InChIInChI=1S/C12H10ClFN2O2S/c1-2-18-11(17)9-10(19-12(15)16-9)8-6(13)4-3-5-7(8)14/h3-5H,2H2,1H3,(H2,15,16)
InChIKeyJEAAZEVNMHQZPN-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.36
Rot. Bonds3

About ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate

ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 53271473) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID53271473
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Nameethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)sc1-c1c(F)cccc1Cl
InChIInChI=1S/C12H10ClFN2O2S/c1-2-18-11(17)9-10(19-12(15)16-9)8-6(13)4-3-5-7(8)14/h3-5H,2H2,1H3,(H2,15,16)
InChIKeyJEAAZEVNMHQZPN-UHFFFAOYSA-N
XLogP3.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 53271473) is ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N)sc1-c1c(F)cccc1Cl.
What is the InChIKey of ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is JEAAZEVNMHQZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c1-2-18-11(17)9-10(19-12(15)16-9)8-6(13)4-3-5-7(8)14/h3-5H,2H2,1H3,(H2,15,16).
What are the key properties of ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 300.74 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).