3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

C19H20N2O4S — CID 2596914

IUPAC3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CCc3ccc(OC)c(OC)c3)sc2c1
InChIInChI=1S/C19H20N2O4S/c1-23-13-6-7-14-17(11-13)26-19(20-14)21-18(22)9-5-12-4-8-15(24-2)16(10-12)25-3/h4,6-8,10-11H,5,9H2,1-3H3,(H,20,21,22)
InChIKeyBZYGSSOTQLPQLM-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.89
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 2596914) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID2596914
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CCc3ccc(OC)c(OC)c3)sc2c1
InChIInChI=1S/C19H20N2O4S/c1-23-13-6-7-14-17(11-13)26-19(20-14)21-18(22)9-5-12-4-8-15(24-2)16(10-12)25-3/h4,6-8,10-11H,5,9H2,1-3H3,(H,20,21,22)
InChIKeyBZYGSSOTQLPQLM-UHFFFAOYSA-N
XLogP3.89
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
KY-02111
CID 8582409
N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxy}acetamide
CID 60143342
N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide
CID 60148068
N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide
CID 60148075
US10251893, Cpd 6
CID 46926811
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 2596914) is 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is COc1ccc2nc(NC(=O)CCc3ccc(OC)c(OC)c3)sc2c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is BZYGSSOTQLPQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-23-13-6-7-14-17(11-13)26-19(20-14)21-18(22)9-5-12-4-8-15(24-2)16(10-12)25-3/h4,6-8,10-11H,5,9H2,1-3H3,(H,20,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 372.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 2596914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).