N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide

C15H15N3O3S2 — CID 134434300

IUPACN-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide
SMILESCOc1ccc2sc(-c3cncc(CNS(C)(=O)=O)c3)nc2c1
InChIInChI=1S/C15H15N3O3S2/c1-21-12-3-4-14-13(6-12)18-15(22-14)11-5-10(7-16-9-11)8-17-23(2,19)20/h3-7,9,17H,8H2,1-2H3
InChIKeyYQZODHQWVHRSHK-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.42
Rot. Bonds5

About N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide

N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide (PubChem CID 134434300) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide
PubChem CID134434300
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide
SMILESCOc1ccc2sc(-c3cncc(CNS(C)(=O)=O)c3)nc2c1
InChIInChI=1S/C15H15N3O3S2/c1-21-12-3-4-14-13(6-12)18-15(22-14)11-5-10(7-16-9-11)8-17-23(2,19)20/h3-7,9,17H,8H2,1-2H3
InChIKeyYQZODHQWVHRSHK-UHFFFAOYSA-N
XLogP2.42
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide with MolForge

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Related Compounds

(5-bromo-3-pyridinyl)methanamine;N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide;5-methoxy-1,3-benzothiazole;N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide
CID 162168040
2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride
CID 142322408
[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
CID 170352699
ethane;N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;S-methylthiohydroxylamine
CID 142322420
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid
CID 134434727
5-methoxy-2-[4-[(E)-2-(4-nitrosophenyl)ethenyl]phenyl]-1,3-benzothiazole
CID 88927246
5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 86116798
5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
CID 24804067
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide (CID 134434300) is N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide is COc1ccc2sc(-c3cncc(CNS(C)(=O)=O)c3)nc2c1.
What is the InChIKey of N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide?
The InChIKey is YQZODHQWVHRSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-21-12-3-4-14-13(6-12)18-15(22-14)11-5-10(7-16-9-11)8-17-23(2,19)20/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide?
N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide has a molecular weight of 349.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide is sourced from PubChem (CID 134434300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).