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

C15H12N2O3S — CID 731161

IUPACphenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate
SMILESCOc1ccc2nc(NC(=O)Oc3ccccc3)sc2c1
InChIInChI=1S/C15H12N2O3S/c1-19-11-7-8-12-13(9-11)21-14(16-12)17-15(18)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
InChIKeyCVBDOCQXYLTRHB-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.92
Rot. Bonds3

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

phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate (PubChem CID 731161) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate
PubChem CID731161
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Namephenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate
SMILESCOc1ccc2nc(NC(=O)Oc3ccccc3)sc2c1
InChIInChI=1S/C15H12N2O3S/c1-19-11-7-8-12-13(9-11)21-14(16-12)17-15(18)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
InChIKeyCVBDOCQXYLTRHB-UHFFFAOYSA-N
XLogP3.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate (CID 731161) is phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate is COc1ccc2nc(NC(=O)Oc3ccccc3)sc2c1.
What is the InChIKey of phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is CVBDOCQXYLTRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-19-11-7-8-12-13(9-11)21-14(16-12)17-15(18)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18).
What are the key properties of phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate?
phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 300.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 731161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).