phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate

C14H9FN2O2S — CID 7131529

IUPACphenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate
SMILESO=C(Nc1nc2ccc(F)cc2s1)Oc1ccccc1
InChIInChI=1S/C14H9FN2O2S/c15-9-6-7-11-12(8-9)20-13(16-11)17-14(18)19-10-4-2-1-3-5-10/h1-8H,(H,16,17,18)
InChIKeyQHSNKKPRRSEVEG-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.05
Rot. Bonds2

About phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate

phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate (PubChem CID 7131529) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate
PubChem CID7131529
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Namephenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate
SMILESO=C(Nc1nc2ccc(F)cc2s1)Oc1ccccc1
InChIInChI=1S/C14H9FN2O2S/c15-9-6-7-11-12(8-9)20-13(16-11)17-14(18)19-10-4-2-1-3-5-10/h1-8H,(H,16,17,18)
InChIKeyQHSNKKPRRSEVEG-UHFFFAOYSA-N
XLogP4.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate (CID 7131529) is phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate is O=C(Nc1nc2ccc(F)cc2s1)Oc1ccccc1.
What is the InChIKey of phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is QHSNKKPRRSEVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-9-6-7-11-12(8-9)20-13(16-11)17-14(18)19-10-4-2-1-3-5-10/h1-8H,(H,16,17,18).
What are the key properties of phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate?
phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 288.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(6-fluoro-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 7131529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).