6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide

C16H14N2O3S — CID 177375453

IUPAC6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc2ccc(O)cc2s1
InChIInChI=1S/C16H14N2O3S/c1-21-13-5-3-2-4-10(13)9-17-15(20)16-18-12-7-6-11(19)8-14(12)22-16/h2-8,19H,9H2,1H3,(H,17,20)
InChIKeyFJOLVZMEIVSTGU-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.94
Rot. Bonds4

About 6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide

6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 177375453) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID177375453
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc2ccc(O)cc2s1
InChIInChI=1S/C16H14N2O3S/c1-21-13-5-3-2-4-10(13)9-17-15(20)16-18-12-7-6-11(19)8-14(12)22-16/h2-8,19H,9H2,1H3,(H,17,20)
InChIKeyFJOLVZMEIVSTGU-UHFFFAOYSA-N
XLogP2.94
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide (CID 177375453) is 6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide is COc1ccccc1CNC(=O)c1nc2ccc(O)cc2s1.
What is the InChIKey of 6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is FJOLVZMEIVSTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-21-13-5-3-2-4-10(13)9-17-15(20)16-18-12-7-6-11(19)8-14(12)22-16/h2-8,19H,9H2,1H3,(H,17,20).
What are the key properties of 6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide?
6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 177375453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).