N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide

C14H19N3OS — CID 50879832

IUPACN-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
SMILESCc1cc2nc(N)sc2c(C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C14H19N3OS/c1-7-6-9-11(19-13(15)16-9)8(2)10(7)17-12(18)14(3,4)5/h6H,1-5H3,(H2,15,16)(H,17,18)
InChIKeyKJVCWMSOEYDAQD-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.48
Rot. Bonds1

About N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide

N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide (PubChem CID 50879832) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
PubChem CID50879832
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
SMILESCc1cc2nc(N)sc2c(C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C14H19N3OS/c1-7-6-9-11(19-13(15)16-9)8(2)10(7)17-12(18)14(3,4)5/h6H,1-5H3,(H2,15,16)(H,17,18)
InChIKeyKJVCWMSOEYDAQD-UHFFFAOYSA-N
XLogP3.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide (CID 50879832) is N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide is Cc1cc2nc(N)sc2c(C)c1NC(=O)C(C)(C)C.
What is the InChIKey of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
The InChIKey is KJVCWMSOEYDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-7-6-9-11(19-13(15)16-9)8(2)10(7)17-12(18)14(3,4)5/h6H,1-5H3,(H2,15,16)(H,17,18).
What are the key properties of N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 50879832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).