3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

C16H23N3OS — CID 108795390

IUPAC3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1nc2c(C)cccc2s1
InChIInChI=1S/C16H23N3OS/c1-4-5-10-19(3)11-9-14(20)17-16-18-15-12(2)7-6-8-13(15)21-16/h6-8H,4-5,9-11H2,1-3H3,(H,17,18,20)
InChIKeyJPUCRGAYSJQHMS-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.67
Rot. Bonds7

About 3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 108795390) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID108795390
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1nc2c(C)cccc2s1
InChIInChI=1S/C16H23N3OS/c1-4-5-10-19(3)11-9-14(20)17-16-18-15-12(2)7-6-8-13(15)21-16/h6-8H,4-5,9-11H2,1-3H3,(H,17,18,20)
InChIKeyJPUCRGAYSJQHMS-UHFFFAOYSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 108795401
N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 3626917
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607
4-(4-chlorophenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 19218842
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 108806870
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51250959
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide (CID 108795390) is 3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide is CCCCN(C)CCC(=O)Nc1nc2c(C)cccc2s1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is JPUCRGAYSJQHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-5-10-19(3)11-9-14(20)17-16-18-15-12(2)7-6-8-13(15)21-16/h6-8H,4-5,9-11H2,1-3H3,(H,17,18,20).
What are the key properties of 3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 305.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 108795390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).