ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate

C12H11FN2O3S — CID 177198327

IUPACethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1ncc(Oc2ccc(F)cc2)s1
InChIInChI=1S/C12H11FN2O3S/c1-2-17-12(16)15-11-14-7-10(19-11)18-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyPCWVABQLEROKLK-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.64
Rot. Bonds4

About ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate

ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate (PubChem CID 177198327) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate
PubChem CID177198327
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Nameethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1ncc(Oc2ccc(F)cc2)s1
InChIInChI=1S/C12H11FN2O3S/c1-2-17-12(16)15-11-14-7-10(19-11)18-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyPCWVABQLEROKLK-UHFFFAOYSA-N
XLogP3.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate (CID 177198327) is ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1ncc(Oc2ccc(F)cc2)s1.
What is the InChIKey of ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate?
The InChIKey is PCWVABQLEROKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-2-17-12(16)15-11-14-7-10(19-11)18-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate?
ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate has a molecular weight of 282.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 177198327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).