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

C17H16N2O3S — CID 7192662

IUPAC3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)c1
InChIInChI=1S/C17H16N2O3S/c1-10-7-8-13(22-3)14-15(10)23-17(18-14)19-16(20)11-5-4-6-12(9-11)21-2/h4-9H,1-3H3,(H,18,19,20)
InChIKeyUUKGDGRLTZCNNQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.87
Rot. Bonds4

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

3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7192662) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7192662
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)c1
InChIInChI=1S/C17H16N2O3S/c1-10-7-8-13(22-3)14-15(10)23-17(18-14)19-16(20)11-5-4-6-12(9-11)21-2/h4-9H,1-3H3,(H,18,19,20)
InChIKeyUUKGDGRLTZCNNQ-UHFFFAOYSA-N
XLogP3.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 7192788
2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
CID 43953289
3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192918
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
CID 17100977
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927
3,4,5-triethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40885029
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 121082502
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
4-(diethylamino)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7152602

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (CID 7192662) is 3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)c1.
What is the InChIKey of 3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UUKGDGRLTZCNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-10-7-8-13(22-3)14-15(10)23-17(18-14)19-16(20)11-5-4-6-12(9-11)21-2/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7192662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).