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

C20H22N2O5S — CID 16912602

IUPACN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)/N=c2\sc3c(OC)ccc(OC)c3n2C)c(OC)c1
InChIInChI=1S/C20H22N2O5S/c1-22-18-14(25-3)8-9-15(26-4)19(18)28-20(22)21-17(23)10-12-6-7-13(24-2)11-16(12)27-5/h6-9,11H,10H2,1-5H3/b21-20-
InChIKeyDKDTYEFCDLYZTL-MRCUWXFGSA-N
MW402.47 g/mol
LogP2.94
Rot. Bonds6

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

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 16912602) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID16912602
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)/N=c2\sc3c(OC)ccc(OC)c3n2C)c(OC)c1
InChIInChI=1S/C20H22N2O5S/c1-22-18-14(25-3)8-9-15(26-4)19(18)28-20(22)21-17(23)10-12-6-7-13(24-2)11-16(12)27-5/h6-9,11H,10H2,1-5H3/b21-20-
InChIKeyDKDTYEFCDLYZTL-MRCUWXFGSA-N
XLogP2.94
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912421
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethylphenyl)acetamide
CID 40697863
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide
CID 2150844
2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912575
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913074
2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 16912578
N-(7-chloro-4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 7590249
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 2150976
N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethoxyphenyl)acetamide
CID 16912623
2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912970
2-(2,4-dimethoxyphenyl)-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912733
4-tert-butyl-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885349

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide (CID 16912602) is N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)/N=c2\sc3c(OC)ccc(OC)c3n2C)c(OC)c1.
What is the InChIKey of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is DKDTYEFCDLYZTL-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-22-18-14(25-3)8-9-15(26-4)19(18)28-20(22)21-17(23)10-12-6-7-13(24-2)11-16(12)27-5/h6-9,11H,10H2,1-5H3/b21-20-.
What are the key properties of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide?
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 402.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 16912602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).