N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C15H23Cl2N3OS — CID 119900503

IUPACN-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC(C)Cc1nc2ccccc2s1.Cl.Cl
InChIInChI=1S/C15H21N3OS.2ClH/c1-10(9-16-3)15(19)17-11(2)8-14-18-12-6-4-5-7-13(12)20-14;;/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,19);2*1H
InChIKeyMRIKTXNWIZJKRH-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.04
Rot. Bonds6

About N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119900503) has the molecular formula C15H23Cl2N3OS and a molecular weight of 364.34 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119900503
Molecular FormulaC15H23Cl2N3OS
Molecular Weight364.34 g/mol
Exact Mass363.09
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC(C)Cc1nc2ccccc2s1.Cl.Cl
InChIInChI=1S/C15H21N3OS.2ClH/c1-10(9-16-3)15(19)17-11(2)8-14-18-12-6-4-5-7-13(12)20-14;;/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,19);2*1H
InChIKeyMRIKTXNWIZJKRH-UHFFFAOYSA-N
XLogP3.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119686710
2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119756789
3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide
CID 119954224
3-(2-aminophenyl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]propanamide
CID 120613503
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119900501
2-(1,3-benzothiazol-2-ylmethyl)-3-methylbutanoic acid
CID 79819156
(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride
CID 119269745
5-[1-(1,3-benzothiazol-2-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 138028421
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
3-(1,3-benzothiazol-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 104631907
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119900503) is N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)NC(C)Cc1nc2ccccc2s1.Cl.Cl.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is MRIKTXNWIZJKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS.2ClH/c1-10(9-16-3)15(19)17-11(2)8-14-18-12-6-4-5-7-13(12)20-14;;/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,19);2*1H.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 364.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119900503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).