N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide

C13H17N3OS — CID 91680322

IUPACN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)cc2sc(N)nc12
InChIInChI=1S/C13H17N3OS/c1-7-5-8(15-11(17)13(2,3)4)6-9-10(7)16-12(14)18-9/h5-6H,1-4H3,(H2,14,16)(H,15,17)
InChIKeyVAGBOSCADNFMJA-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.17
Rot. Bonds1

About N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide

N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide (PubChem CID 91680322) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
PubChem CID91680322
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)cc2sc(N)nc12
InChIInChI=1S/C13H17N3OS/c1-7-5-8(15-11(17)13(2,3)4)6-9-10(7)16-12(14)18-9/h5-6H,1-4H3,(H2,14,16)(H,15,17)
InChIKeyVAGBOSCADNFMJA-UHFFFAOYSA-N
XLogP3.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide (CID 91680322) is N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide is Cc1cc(NC(=O)C(C)(C)C)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
The InChIKey is VAGBOSCADNFMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-7-5-8(15-11(17)13(2,3)4)6-9-10(7)16-12(14)18-9/h5-6H,1-4H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide has a molecular weight of 263.37 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 91680322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).