N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

C20H15N3O2S — CID 10109223

IUPACN-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCOc1ccc(-c2ccccc2)c2sc(NC(=O)c3ccncc3)nc12
InChIInChI=1S/C20H15N3O2S/c1-25-16-8-7-15(13-5-3-2-4-6-13)18-17(16)22-20(26-18)23-19(24)14-9-11-21-12-10-14/h2-12H,1H3,(H,22,23,24)
InChIKeyGGPJGAFHQGWMQZ-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.62
Rot. Bonds4

About N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (PubChem CID 10109223) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
PubChem CID10109223
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCOc1ccc(-c2ccccc2)c2sc(NC(=O)c3ccncc3)nc12
InChIInChI=1S/C20H15N3O2S/c1-25-16-8-7-15(13-5-3-2-4-6-13)18-17(16)22-20(26-18)23-19(24)14-9-11-21-12-10-14/h2-12H,1H3,(H,22,23,24)
InChIKeyGGPJGAFHQGWMQZ-UHFFFAOYSA-N
XLogP4.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126
4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
CID 22283069
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
2-[(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetic acid
CID 22283377
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(propylaminomethyl)benzamide;hydrochloride
CID 22283213
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 22283032
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 10155956
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
1-ethyl-3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-3-methyl-1-pyridin-4-ylurea;hydrochloride
CID 22283136
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927
N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283414

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (CID 10109223) is N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is COc1ccc(-c2ccccc2)c2sc(NC(=O)c3ccncc3)nc12.
What is the InChIKey of N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is GGPJGAFHQGWMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-25-16-8-7-15(13-5-3-2-4-6-13)18-17(16)22-20(26-18)23-19(24)14-9-11-21-12-10-14/h2-12H,1H3,(H,22,23,24).
What are the key properties of N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 10109223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).