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

C14H10N2O2S — CID 13101074

IUPACphenyl N-(1,3-benzothiazol-2-yl)carbamate
SMILESO=C(Nc1nc2ccccc2s1)Oc1ccccc1
InChIInChI=1S/C14H10N2O2S/c17-14(18-10-6-2-1-3-7-10)16-13-15-11-8-4-5-9-12(11)19-13/h1-9H,(H,15,16,17)
InChIKeyJRLUQGSODQQBFK-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.91
Rot. Bonds2

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

phenyl N-(1,3-benzothiazol-2-yl)carbamate (PubChem CID 13101074) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is phenyl N-(1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1,3-benzothiazol-2-yl)carbamate
PubChem CID13101074
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Namephenyl N-(1,3-benzothiazol-2-yl)carbamate
SMILESO=C(Nc1nc2ccccc2s1)Oc1ccccc1
InChIInChI=1S/C14H10N2O2S/c17-14(18-10-6-2-1-3-7-10)16-13-15-11-8-4-5-9-12(11)19-13/h1-9H,(H,15,16,17)
InChIKeyJRLUQGSODQQBFK-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(1,3-benzothiazol-2-yl)carbamate (CID 13101074) is phenyl N-(1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(1,3-benzothiazol-2-yl)carbamate is O=C(Nc1nc2ccccc2s1)Oc1ccccc1.
What is the InChIKey of phenyl N-(1,3-benzothiazol-2-yl)carbamate?
The InChIKey is JRLUQGSODQQBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-14(18-10-6-2-1-3-7-10)16-13-15-11-8-4-5-9-12(11)19-13/h1-9H,(H,15,16,17).
What are the key properties of phenyl N-(1,3-benzothiazol-2-yl)carbamate?
phenyl N-(1,3-benzothiazol-2-yl)carbamate has a molecular weight of 270.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 13101074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).