2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide

C15H21N3OS — CID 43231791

IUPAC2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1nc2ccccc2s1
InChIInChI=1S/C15H21N3OS/c1-4-9-16-14(19)10(2)17-11(3)15-18-12-7-5-6-8-13(12)20-15/h5-8,10-11,17H,4,9H2,1-3H3,(H,16,19)
InChIKeyPLNVJJLACAPYMY-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.86
Rot. Bonds6

About 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide

2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide (PubChem CID 43231791) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide
PubChem CID43231791
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1nc2ccccc2s1
InChIInChI=1S/C15H21N3OS/c1-4-9-16-14(19)10(2)17-11(3)15-18-12-7-5-6-8-13(12)20-15/h5-8,10-11,17H,4,9H2,1-3H3,(H,16,19)
InChIKeyPLNVJJLACAPYMY-UHFFFAOYSA-N
XLogP2.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide
CID 43402097
2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
CID 43545365
[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium
CID 8805132
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpent-1-yn-3-amine
CID 114202107
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
3-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-1-ol
CID 115723090
(2R)-2-[(R)-1,3-benzothiazol-2-ylmethylsulfinyl]-N-propylpropanamide
CID 95296726
(2S)-2-amino-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutanamide
CID 18664320
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721848
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43177919
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
CID 43215005
1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol
CID 113261488

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide (CID 43231791) is 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(C)c1nc2ccccc2s1.
What is the InChIKey of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide?
The InChIKey is PLNVJJLACAPYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-9-16-14(19)10(2)17-11(3)15-18-12-7-5-6-8-13(12)20-15/h5-8,10-11,17H,4,9H2,1-3H3,(H,16,19).
What are the key properties of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide?
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide has a molecular weight of 291.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 43231791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).