3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide

C14H10N2O2S — CID 45105112

IUPAC3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)n1sc2ccccc2c1=O
InChIInChI=1S/C14H10N2O2S/c17-13-11-8-4-5-9-12(11)19-16(13)14(18)15-10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKeyMKGBIVLMGRCBGI-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.14
Rot. Bonds1

About 3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide

3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide (PubChem CID 45105112) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide
PubChem CID45105112
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)n1sc2ccccc2c1=O
InChIInChI=1S/C14H10N2O2S/c17-13-11-8-4-5-9-12(11)19-16(13)14(18)15-10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKeyMKGBIVLMGRCBGI-UHFFFAOYSA-N
XLogP3.14
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide?
The IUPAC name of 3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide (CID 45105112) is 3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide.
What is the SMILES notation for 3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide?
The canonical SMILES for 3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide is O=C(Nc1ccccc1)n1sc2ccccc2c1=O.
What is the InChIKey of 3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide?
The InChIKey is MKGBIVLMGRCBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-13-11-8-4-5-9-12(11)19-16(13)14(18)15-10-6-2-1-3-7-10/h1-9H,(H,15,18).
What are the key properties of 3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide?
3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-phenyl-1,2-benzothiazole-2-carboxamide is sourced from PubChem (CID 45105112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).