phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate

C16H11FN2O2S — CID 20829966

IUPACphenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1ncc(-c2cccc(F)c2)s1)Oc1ccccc1
InChIInChI=1S/C16H11FN2O2S/c17-12-6-4-5-11(9-12)14-10-18-15(22-14)19-16(20)21-13-7-2-1-3-8-13/h1-10H,(H,18,19,20)
InChIKeyLOYZUQQGBWEBNF-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.56
Rot. Bonds3

About phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate

phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 20829966) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate
PubChem CID20829966
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Namephenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1ncc(-c2cccc(F)c2)s1)Oc1ccccc1
InChIInChI=1S/C16H11FN2O2S/c17-12-6-4-5-11(9-12)14-10-18-15(22-14)19-16(20)21-13-7-2-1-3-8-13/h1-10H,(H,18,19,20)
InChIKeyLOYZUQQGBWEBNF-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate (CID 20829966) is phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate is O=C(Nc1ncc(-c2cccc(F)c2)s1)Oc1ccccc1.
What is the InChIKey of phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is LOYZUQQGBWEBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-12-6-4-5-11(9-12)14-10-18-15(22-14)19-16(20)21-13-7-2-1-3-8-13/h1-10H,(H,18,19,20).
What are the key properties of phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate?
phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 314.34 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 20829966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).