2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride

C14H20ClN3OS — CID 119677119

IUPAC2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc2nc(C)sc2c1.Cl
InChIInChI=1S/C14H19N3OS.ClH/c1-4-7-14(3,15)13(18)17-10-5-6-11-12(8-10)19-9(2)16-11;/h5-6,8H,4,7,15H2,1-3H3,(H,17,18);1H
InChIKeyKYPYJOSFYDBBQX-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.48
Rot. Bonds4

About 2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride

2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride (PubChem CID 119677119) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride
PubChem CID119677119
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc2nc(C)sc2c1.Cl
InChIInChI=1S/C14H19N3OS.ClH/c1-4-7-14(3,15)13(18)17-10-5-6-11-12(8-10)19-9(2)16-11;/h5-6,8H,4,7,15H2,1-3H3,(H,17,18);1H
InChIKeyKYPYJOSFYDBBQX-UHFFFAOYSA-N
XLogP3.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride
CID 119734502
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 79796818
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride
CID 119719229
2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate
CID 79346478
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64617382
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride (CID 119677119) is 2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc2nc(C)sc2c1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride?
The InChIKey is KYPYJOSFYDBBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS.ClH/c1-4-7-14(3,15)13(18)17-10-5-6-11-12(8-10)19-9(2)16-11;/h5-6,8H,4,7,15H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride?
2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119677119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).