3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide

C17H17N3OS — CID 78771008

IUPAC3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C17H17N3OS/c1-20(12-13-5-4-10-18-11-13)17(21)9-8-16-19-14-6-2-3-7-15(14)22-16/h2-7,10-11H,8-9,12H2,1H3
InChIKeyPJZQITYCDDFZJF-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.28
Rot. Bonds5

About 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide

3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 78771008) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID78771008
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C17H17N3OS/c1-20(12-13-5-4-10-18-11-13)17(21)9-8-16-19-14-6-2-3-7-15(14)22-16/h2-7,10-11H,8-9,12H2,1H3
InChIKeyPJZQITYCDDFZJF-UHFFFAOYSA-N
XLogP3.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 8907407
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 47112744
4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 112761133
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97210504
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide
CID 78774445
5-(1,3-benzothiazol-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpentanamide
CID 78800940

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide (CID 78771008) is 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide is CN(Cc1cccnc1)C(=O)CCc1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is PJZQITYCDDFZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-20(12-13-5-4-10-18-11-13)17(21)9-8-16-19-14-6-2-3-7-15(14)22-16/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 311.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 78771008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).