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

C14H19N3OS — CID 43402097

IUPAC2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1nc2ccccc2s1
InChIInChI=1S/C14H19N3OS/c1-3-8-15-13(18)9-16-10(2)14-17-11-6-4-5-7-12(11)19-14/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyHPEVVQQCKUVKSO-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.47
Rot. Bonds6

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

2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide (PubChem CID 43402097) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide
PubChem CID43402097
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1nc2ccccc2s1
InChIInChI=1S/C14H19N3OS/c1-3-8-15-13(18)9-16-10(2)14-17-11-6-4-5-7-12(11)19-14/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyHPEVVQQCKUVKSO-UHFFFAOYSA-N
XLogP2.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide
CID 43231791
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
[(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
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261728
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
3-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]hexan-1-ol
CID 103787462
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43179013
1-(1,3-benzothiazol-2-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 103779283
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713749

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide (CID 43402097) is 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide is CCCNC(=O)CNC(C)c1nc2ccccc2s1.
What is the InChIKey of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide?
The InChIKey is HPEVVQQCKUVKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-8-15-13(18)9-16-10(2)14-17-11-6-4-5-7-12(11)19-14/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide?
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide has a molecular weight of 277.39 g/mol, XLogP of 2.47, 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-propylacetamide is sourced from PubChem (CID 43402097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).