N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide

C15H12N2O2S — CID 83406722

IUPACN-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C15H12N2O2S/c18-11-6-7-12-13(8-11)20-15(17-12)14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H,16,19)
InChIKeyCZOIDQHBCVJTPH-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.93
Rot. Bonds3

About N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide

N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide (PubChem CID 83406722) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide
PubChem CID83406722
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C15H12N2O2S/c18-11-6-7-12-13(8-11)20-15(17-12)14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H,16,19)
InChIKeyCZOIDQHBCVJTPH-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide (CID 83406722) is N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide is O=C(NCc1ccccc1)c1nc2ccc(O)cc2s1.
What is the InChIKey of N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide?
The InChIKey is CZOIDQHBCVJTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-11-6-7-12-13(8-11)20-15(17-12)14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H,16,19).
What are the key properties of N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide?
N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-hydroxy-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 83406722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).