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

C12H12ClFN2O2S — CID 71610364

IUPACethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc(-c2ccc(F)cc2)nc1N.Cl
InChIInChI=1S/C12H11FN2O2S.ClH/c1-2-17-12(16)9-10(14)15-11(18-9)7-3-5-8(13)6-4-7;/h3-6H,2,14H2,1H3;1H
InChIKeyZLIFVJLZPUYPTQ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.13
Rot. Bonds3

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

ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 71610364) has the molecular formula C12H12ClFN2O2S and a molecular weight of 302.76 g/mol. Its IUPAC name is ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID71610364
Molecular FormulaC12H12ClFN2O2S
Molecular Weight302.76 g/mol
Exact Mass302.03
IUPAC Nameethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc(-c2ccc(F)cc2)nc1N.Cl
InChIInChI=1S/C12H11FN2O2S.ClH/c1-2-17-12(16)9-10(14)15-11(18-9)7-3-5-8(13)6-4-7;/h3-6H,2,14H2,1H3;1H
InChIKeyZLIFVJLZPUYPTQ-UHFFFAOYSA-N
XLogP3.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride (CID 71610364) is ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride is CCOC(=O)c1sc(-c2ccc(F)cc2)nc1N.Cl.
What is the InChIKey of ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is ZLIFVJLZPUYPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S.ClH/c1-2-17-12(16)9-10(14)15-11(18-9)7-3-5-8(13)6-4-7;/h3-6H,2,14H2,1H3;1H.
What are the key properties of ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride?
ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 71610364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).