2-(1,3-benzothiazol-2-ylmethoxy)benzamide

C15H12N2O2S — CID 7642112

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)benzamide
SMILESNC(=O)c1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C15H12N2O2S/c16-15(18)10-5-1-3-7-12(10)19-9-14-17-11-6-2-4-8-13(11)20-14/h1-8H,9H2,(H2,16,18)
InChIKeyQRPFZVXJPNUUIX-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.97
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylmethoxy)benzamide

2-(1,3-benzothiazol-2-ylmethoxy)benzamide (PubChem CID 7642112) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)benzamide
PubChem CID7642112
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)benzamide
SMILESNC(=O)c1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C15H12N2O2S/c16-15(18)10-5-1-3-7-12(10)19-9-14-17-11-6-2-4-8-13(11)20-14/h1-8H,9H2,(H2,16,18)
InChIKeyQRPFZVXJPNUUIX-UHFFFAOYSA-N
XLogP2.97
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)benzamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)benzamide (CID 7642112) is 2-(1,3-benzothiazol-2-ylmethoxy)benzamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)benzamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)benzamide is NC(=O)c1ccccc1OCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)benzamide?
The InChIKey is QRPFZVXJPNUUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c16-15(18)10-5-1-3-7-12(10)19-9-14-17-11-6-2-4-8-13(11)20-14/h1-8H,9H2,(H2,16,18).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)benzamide?
2-(1,3-benzothiazol-2-ylmethoxy)benzamide has a molecular weight of 284.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)benzamide is sourced from PubChem (CID 7642112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).