N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide

C26H19N3O2S — CID 90596630

IUPACN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cccc(Oc5ccccn5)c4)cc3)sc2c1
InChIInChI=1S/C26H19N3O2S/c1-17-8-13-22-23(15-17)32-26(29-22)18-9-11-20(12-10-18)28-25(30)19-5-4-6-21(16-19)31-24-7-2-3-14-27-24/h2-16H,1H3,(H,28,30)
InChIKeyDRKLRRPCJULMMM-UHFFFAOYSA-N
MW437.52 g/mol
LogP6.71
Rot. Bonds5

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide (PubChem CID 90596630) has the molecular formula C26H19N3O2S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide
PubChem CID90596630
Molecular FormulaC26H19N3O2S
Molecular Weight437.52 g/mol
Exact Mass437.12
IUPAC NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cccc(Oc5ccccn5)c4)cc3)sc2c1
InChIInChI=1S/C26H19N3O2S/c1-17-8-13-22-23(15-17)32-26(29-22)18-9-11-20(12-10-18)28-25(30)19-5-4-6-21(16-19)31-24-7-2-3-14-27-24/h2-16H,1H3,(H,28,30)
InChIKeyDRKLRRPCJULMMM-UHFFFAOYSA-N
XLogP6.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17133073
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 108792592
2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
CID 4071461
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983
3-methoxy-N-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]benzamide
CID 17226192
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-propan-2-ylsulfonylbenzamide
CID 26844623
3,4-dichloro-N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]benzamide
CID 154464144
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100049
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954337

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide (CID 90596630) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide is Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(Oc5ccccn5)c4)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide?
The InChIKey is DRKLRRPCJULMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2S/c1-17-8-13-22-23(15-17)32-26(29-22)18-9-11-20(12-10-18)28-25(30)19-5-4-6-21(16-19)31-24-7-2-3-14-27-24/h2-16H,1H3,(H,28,30).
What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide?
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide has a molecular weight of 437.52 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide is sourced from PubChem (CID 90596630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).