N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide

C19H20N2O4S — CID 16912421

IUPACN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)/N=c2\sc3c(OC)ccc(OC)c3n2C)c1
InChIInChI=1S/C19H20N2O4S/c1-21-17-14(24-3)8-9-15(25-4)18(17)26-19(21)20-16(22)11-12-6-5-7-13(10-12)23-2/h5-10H,11H2,1-4H3/b20-19-
InChIKeyAMDJAFXDWIQTJJ-VXPUYCOJSA-N
MW372.45 g/mol
LogP2.94
Rot. Bonds5

About N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide (PubChem CID 16912421) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
PubChem CID16912421
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)/N=c2\sc3c(OC)ccc(OC)c3n2C)c1
InChIInChI=1S/C19H20N2O4S/c1-21-17-14(24-3)8-9-15(25-4)18(17)26-19(21)20-16(22)11-12-6-5-7-13(10-12)23-2/h5-10H,11H2,1-4H3/b20-19-
InChIKeyAMDJAFXDWIQTJJ-VXPUYCOJSA-N
XLogP2.94
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide
CID 16912602
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912526
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethylphenyl)acetamide
CID 40697863
N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 2151019
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide
CID 2150844
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912533
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913074
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 2150976
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912424
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)acetamide
CID 40700280
2-(3,4-dimethoxyphenyl)-N-(4,7-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912797
N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide
CID 16912465

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide (CID 16912421) is N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)/N=c2\sc3c(OC)ccc(OC)c3n2C)c1.
What is the InChIKey of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide?
The InChIKey is AMDJAFXDWIQTJJ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-21-17-14(24-3)8-9-15(25-4)18(17)26-19(21)20-16(22)11-12-6-5-7-13(10-12)23-2/h5-10H,11H2,1-4H3/b20-19-.
What are the key properties of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide?
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 16912421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).