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

C17H16N2O4S — CID 7172907

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1
InChIInChI=1S/C17H16N2O4S/c1-21-11-6-4-10(5-7-11)16(20)19-17-18-14-12(22-2)8-9-13(23-3)15(14)24-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyVXRMTZFVHKTJPT-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.57
Rot. Bonds5

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

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide (PubChem CID 7172907) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
PubChem CID7172907
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1
InChIInChI=1S/C17H16N2O4S/c1-21-11-6-4-10(5-7-11)16(20)19-17-18-14-12(22-2)8-9-13(23-3)15(14)24-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyVXRMTZFVHKTJPT-UHFFFAOYSA-N
XLogP3.57
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283414
4-(diethylamino)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7152602
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126
N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283409
3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192918
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide
CID 7590122
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10109223

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide (CID 7172907) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
The InChIKey is VXRMTZFVHKTJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-21-11-6-4-10(5-7-11)16(20)19-17-18-14-12(22-2)8-9-13(23-3)15(14)24-17/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide has a molecular weight of 344.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 7172907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).