N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide

C18H18N2O3S — CID 24564610

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2nc3c(OC)cccc3s2)c1
InChIInChI=1S/C18H18N2O3S/c1-22-13-6-3-5-12(11-13)9-10-16(21)19-18-20-17-14(23-2)7-4-8-15(17)24-18/h3-8,11H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyZZNSGXNLXSHLAO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.88
Rot. Bonds6

About N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide

N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide (PubChem CID 24564610) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
PubChem CID24564610
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2nc3c(OC)cccc3s2)c1
InChIInChI=1S/C18H18N2O3S/c1-22-13-6-3-5-12(11-13)9-10-16(21)19-18-20-17-14(23-2)7-4-8-15(17)24-18/h3-8,11H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyZZNSGXNLXSHLAO-UHFFFAOYSA-N
XLogP3.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 53269327
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 46665605
2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 121081506
3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
CID 71683092
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 53269263
4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19218843
3-(3-methoxyphenyl)-N-[5-[4-[5-[3-(3-methoxyphenyl)propanoylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 90165530
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide (CID 24564610) is N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2nc3c(OC)cccc3s2)c1.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is ZZNSGXNLXSHLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-22-13-6-3-5-12(11-13)9-10-16(21)19-18-20-17-14(23-2)7-4-8-15(17)24-18/h3-8,11H,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 24564610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).