N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide

C16H14N2O3S — CID 7192494

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(OC)c2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C16H14N2O3S/c1-20-11-8-9-12(21-2)14-13(11)17-16(22-14)18-15(19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18,19)
InChIKeyBMROZFQFXWJDMG-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.57
Rot. Bonds4

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7192494) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID7192494
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(OC)c2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C16H14N2O3S/c1-20-11-8-9-12(21-2)14-13(11)17-16(22-14)18-15(19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18,19)
InChIKeyBMROZFQFXWJDMG-UHFFFAOYSA-N
XLogP3.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10109223
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283409
4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
CID 22283069
3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192918
N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283414
4-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018256
4-(diethylamino)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7152602

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide (CID 7192494) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc(OC)c2sc(NC(=O)c3ccccc3)nc12.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is BMROZFQFXWJDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-11-8-9-12(21-2)14-13(11)17-16(22-14)18-15(19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 314.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7192494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).