3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

C19H20N2O3S — CID 9085555

IUPAC3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc3nc(C)sc3c2)cc(OC)c1
InChIInChI=1S/C19H20N2O3S/c1-12-20-17-6-5-14(10-18(17)25-12)21-19(22)7-4-13-8-15(23-2)11-16(9-13)24-3/h5-6,8-11H,4,7H2,1-3H3,(H,21,22)
InChIKeyHKBNPYBCSGKCLK-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.19
Rot. Bonds6

About 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 9085555) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID9085555
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc3nc(C)sc3c2)cc(OC)c1
InChIInChI=1S/C19H20N2O3S/c1-12-20-17-6-5-14(10-18(17)25-12)21-19(22)7-4-13-8-15(23-2)11-16(9-13)24-3/h5-6,8-11H,4,7H2,1-3H3,(H,21,22)
InChIKeyHKBNPYBCSGKCLK-UHFFFAOYSA-N
XLogP4.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 110443255
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 26707945
3-[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]carbamoylamino]ethoxy]phenyl]propanoic acid
CID 57340474
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CID 9085555) is 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is COc1cc(CCC(=O)Nc2ccc3nc(C)sc3c2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is HKBNPYBCSGKCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-12-20-17-6-5-14(10-18(17)25-12)21-19(22)7-4-13-8-15(23-2)11-16(9-13)24-3/h5-6,8-11H,4,7H2,1-3H3,(H,21,22).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 356.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 9085555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).