3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

C16H23N3O2S — CID 108806870

IUPAC3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C16H23N3O2S/c1-4-5-9-19(2)10-8-15(20)18-16-17-13-7-6-12(21-3)11-14(13)22-16/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,18,20)
InChIKeyOYTQOYFVTLHTSO-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.37
Rot. Bonds8

About 3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 108806870) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID108806870
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C16H23N3O2S/c1-4-5-9-19(2)10-8-15(20)18-16-17-13-7-6-12(21-3)11-14(13)22-16/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,18,20)
InChIKeyOYTQOYFVTLHTSO-UHFFFAOYSA-N
XLogP3.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
CID 115603712
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
4-[butyl(methyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 4132032
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 3237471
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)hexanamide
CID 4036340
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 2238971
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 110678933

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 108806870) is 3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is CCCCN(C)CCC(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is OYTQOYFVTLHTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-4-5-9-19(2)10-8-15(20)18-16-17-13-7-6-12(21-3)11-14(13)22-16/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,18,20).
What are the key properties of 3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 321.45 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 108806870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).