4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride

C15H23Cl2N3OS — CID 120564311

IUPAC4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride
SMILESCC(N)CCC(=O)N(C)C(C)c1nc2ccccc2s1.Cl.Cl
InChIInChI=1S/C15H21N3OS.2ClH/c1-10(16)8-9-14(19)18(3)11(2)15-17-12-6-4-5-7-13(12)20-15;;/h4-7,10-11H,8-9,16H2,1-3H3;2*1H
InChIKeyUHSNJQGYCLQZDY-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.79
Rot. Bonds5

About 4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride

4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride (PubChem CID 120564311) has the molecular formula C15H23Cl2N3OS and a molecular weight of 364.34 g/mol. Its IUPAC name is 4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride
PubChem CID120564311
Molecular FormulaC15H23Cl2N3OS
Molecular Weight364.34 g/mol
Exact Mass363.09
IUPAC Name4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride
SMILESCC(N)CCC(=O)N(C)C(C)c1nc2ccccc2s1.Cl.Cl
InChIInChI=1S/C15H21N3OS.2ClH/c1-10(16)8-9-14(19)18(3)11(2)15-17-12-6-4-5-7-13(12)20-15;;/h4-7,10-11H,8-9,16H2,1-3H3;2*1H
InChIKeyUHSNJQGYCLQZDY-UHFFFAOYSA-N
XLogP3.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-phenylpropanamide
CID 119952797
4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methoxy-N-methylbutanamide;dihydrochloride
CID 120594823
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 9262345
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 9469055
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9468745
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 9469011
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 75509985
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 9469014
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 9468827
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 46452192
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 9468713
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8820324

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride (CID 120564311) is 4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride is CC(N)CCC(=O)N(C)C(C)c1nc2ccccc2s1.Cl.Cl.
What is the InChIKey of 4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride?
The InChIKey is UHSNJQGYCLQZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS.2ClH/c1-10(16)8-9-14(19)18(3)11(2)15-17-12-6-4-5-7-13(12)20-15;;/h4-7,10-11H,8-9,16H2,1-3H3;2*1H.
What are the key properties of 4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride?
4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride has a molecular weight of 364.34 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride is sourced from PubChem (CID 120564311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).