N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide

C17H16N2O4S — CID 177375461

IUPACN-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide
SMILESCOc1cc(CNC(=O)c2nc3ccc(O)cc3s2)cc(OC)c1
InChIInChI=1S/C17H16N2O4S/c1-22-12-5-10(6-13(8-12)23-2)9-18-16(21)17-19-14-4-3-11(20)7-15(14)24-17/h3-8,20H,9H2,1-2H3,(H,18,21)
InChIKeyODVXUOUNGNGKFS-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.95
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide

N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide (PubChem CID 177375461) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide
PubChem CID177375461
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide
SMILESCOc1cc(CNC(=O)c2nc3ccc(O)cc3s2)cc(OC)c1
InChIInChI=1S/C17H16N2O4S/c1-22-12-5-10(6-13(8-12)23-2)9-18-16(21)17-19-14-4-3-11(20)7-15(14)24-17/h3-8,20H,9H2,1-2H3,(H,18,21)
InChIKeyODVXUOUNGNGKFS-UHFFFAOYSA-N
XLogP2.95
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate
CID 15498366
N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide
CID 141486523
6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
sodium 6-methoxy-1,3-benzothiazole-2-carboxylate
CID 23680135
N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470194
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
(E)-3-(1,3-benzothiazol-2-yl)-4-(3,5-dimethoxyphenyl)but-3-enoate
CID 7515766
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide (CID 177375461) is N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide is COc1cc(CNC(=O)c2nc3ccc(O)cc3s2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide?
The InChIKey is ODVXUOUNGNGKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-22-12-5-10(6-13(8-12)23-2)9-18-16(21)17-19-14-4-3-11(20)7-15(14)24-17/h3-8,20H,9H2,1-2H3,(H,18,21).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide?
N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 177375461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).