2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride

C16H24ClN3OS — CID 119756789

IUPAC2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)Cc1nc2ccccc2s1.Cl
InChIInChI=1S/C16H23N3OS.ClH/c1-4-9-16(3,17)15(20)18-11(2)10-14-19-12-7-5-6-8-13(12)21-14;/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,20);1H
InChIKeyNAUNHVFTZDUIBX-UHFFFAOYSA-N
MW341.91 g/mol
LogP3.28
Rot. Bonds6

About 2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride

2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride (PubChem CID 119756789) has the molecular formula C16H24ClN3OS and a molecular weight of 341.91 g/mol. Its IUPAC name is 2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride
PubChem CID119756789
Molecular FormulaC16H24ClN3OS
Molecular Weight341.91 g/mol
Exact Mass341.13
IUPAC Name2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)Cc1nc2ccccc2s1.Cl
InChIInChI=1S/C16H23N3OS.ClH/c1-4-9-16(3,17)15(20)18-11(2)10-14-19-12-7-5-6-8-13(12)21-14;/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,20);1H
InChIKeyNAUNHVFTZDUIBX-UHFFFAOYSA-N
XLogP3.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119684964
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119900503
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
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-2-methylpentanamide
CID 63008242
2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
CID 54928444
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
5-[1-(1,3-benzothiazol-2-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 138028421
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methylpropanamide;hydrochloride
CID 119272618

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride (CID 119756789) is 2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NC(C)Cc1nc2ccccc2s1.Cl.
What is the InChIKey of 2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride?
The InChIKey is NAUNHVFTZDUIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS.ClH/c1-4-9-16(3,17)15(20)18-11(2)10-14-19-12-7-5-6-8-13(12)21-14;/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride?
2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride has a molecular weight of 341.91 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119756789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).