N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide

C12H15N3OS — CID 23111144

IUPACN-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C12H15N3OS/c1-12(2,13)6-14-11(16)8-3-4-9-10(5-8)17-7-15-9/h3-5,7H,6,13H2,1-2H3,(H,14,16)
InChIKeyPAATZDWNNUSWGD-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.76
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide

N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 23111144) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
PubChem CID23111144
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C12H15N3OS/c1-12(2,13)6-14-11(16)8-3-4-9-10(5-8)17-7-15-9/h3-5,7H,6,13H2,1-2H3,(H,14,16)
InChIKeyPAATZDWNNUSWGD-UHFFFAOYSA-N
XLogP1.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
CID 65112231
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-6-carboxamide
CID 103839934
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1,3-benzothiazole-6-carboxamide
CID 99816829
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1,3-benzothiazole-6-carboxamide
CID 99873823
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
N-but-2-ynyl-1,3-benzothiazole-6-carboxamide;ethane
CID 143657790
N-(2-methoxy-2-phenylbutyl)-1,3-benzothiazole-6-carboxamide
CID 90599506
N-[(1-aminocycloheptyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 154577575
1,3-benzothiazole-6-carboxylic acid;methyl 2-amino-3-(1,3-benzothiazole-6-carbonylamino)propanoate
CID 159851298
N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1,3-benzothiazole-6-carboxamide
CID 90549689
4-(1,3-benzothiazole-6-carbonylamino)-4-methylpentanoic acid
CID 62041776

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide (CID 23111144) is N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide is CC(C)(N)CNC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is PAATZDWNNUSWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-12(2,13)6-14-11(16)8-3-4-9-10(5-8)17-7-15-9/h3-5,7H,6,13H2,1-2H3,(H,14,16).
What are the key properties of N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide?
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 23111144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).