[2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate

C16H14N2O2S — CID 102189885

IUPAC[2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C16H14N2O2S/c1-18(2)16(19)20-13-9-5-3-7-11(13)15-17-12-8-4-6-10-14(12)21-15/h3-10H,1-2H3
InChIKeyRQCNYEAAKVLBEU-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.02
Rot. Bonds2

About [2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate

[2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate (PubChem CID 102189885) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate
PubChem CID102189885
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name[2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C16H14N2O2S/c1-18(2)16(19)20-13-9-5-3-7-11(13)15-17-12-8-4-6-10-14(12)21-15/h3-10H,1-2H3
InChIKeyRQCNYEAAKVLBEU-UHFFFAOYSA-N
XLogP4.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate (CID 102189885) is [2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate?
The InChIKey is RQCNYEAAKVLBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-18(2)16(19)20-13-9-5-3-7-11(13)15-17-12-8-4-6-10-14(12)21-15/h3-10H,1-2H3.
What are the key properties of [2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate?
[2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate has a molecular weight of 298.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 102189885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).