2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide

C13H16FN3OS — CID 61478157

IUPAC2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C13H16FN3OS/c1-3-6-15-12(18)8(2)16-13-17-10-7-9(14)4-5-11(10)19-13/h4-5,7-8H,3,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySFDNTJMYHQEBNV-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.76
Rot. Bonds5

About 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide

2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide (PubChem CID 61478157) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
PubChem CID61478157
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C13H16FN3OS/c1-3-6-15-12(18)8(2)16-13-17-10-7-9(14)4-5-11(10)19-13/h4-5,7-8H,3,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySFDNTJMYHQEBNV-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79143008
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]-N-ethylpropanamide
CID 54959098
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 113494981
ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]propanoate
CID 54960138
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613
2-N-(5-fluoro-1,3-benzothiazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61478242
5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 65048266
ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
CID 60810692
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
CID 43311082
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 63544982

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide (CID 61478157) is 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc2cc(F)ccc2s1.
What is the InChIKey of 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide?
The InChIKey is SFDNTJMYHQEBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-3-6-15-12(18)8(2)16-13-17-10-7-9(14)4-5-11(10)19-13/h4-5,7-8H,3,6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide?
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 61478157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).