6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide

C16H14N2O2S — CID 171038052

IUPAC6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C16H14N2O2S/c19-12-6-7-13-14(10-12)21-16(18-13)15(20)17-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H,17,20)
InChIKeyLDHPSIYEMKBZIA-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.97
Rot. Bonds4

About 6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide

6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 171038052) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide
PubChem CID171038052
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C16H14N2O2S/c19-12-6-7-13-14(10-12)21-16(18-13)15(20)17-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H,17,20)
InChIKeyLDHPSIYEMKBZIA-UHFFFAOYSA-N
XLogP2.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide (CID 171038052) is 6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide is O=C(NCCc1ccccc1)c1nc2ccc(O)cc2s1.
What is the InChIKey of 6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is LDHPSIYEMKBZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-12-6-7-13-14(10-12)21-16(18-13)15(20)17-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H,17,20).
What are the key properties of 6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide?
6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-(2-phenylethyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 171038052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).