2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide

C12H15N3O2S2 — CID 61369390

IUPAC2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)c1nc2ccc(N)cc2s1
InChIInChI=1S/C12H15N3O2S2/c1-7(11(16)15(2)3)19(17)12-14-9-5-4-8(13)6-10(9)18-12/h4-7H,13H2,1-3H3
InChIKeyOHSOAGHRWKHXHN-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.46
Rot. Bonds3

About 2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide

2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide (PubChem CID 61369390) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide
PubChem CID61369390
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)c1nc2ccc(N)cc2s1
InChIInChI=1S/C12H15N3O2S2/c1-7(11(16)15(2)3)19(17)12-14-9-5-4-8(13)6-10(9)18-12/h4-7H,13H2,1-3H3
InChIKeyOHSOAGHRWKHXHN-UHFFFAOYSA-N
XLogP1.46
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine
CID 61367097
2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N-tert-butylpropanamide
CID 61369392
2-[2-(2-methylpropoxy)ethylsulfinyl]-1,3-benzothiazol-6-amine
CID 106455863
2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine
CID 61368635
2-hexylsulfinyl-1,3-benzothiazol-6-amine
CID 61367485
2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N-butylacetamide
CID 61486047
2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61367807
2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine
CID 61367872
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972
2-[3-(2-methoxyethoxy)propylsulfinyl]-1,3-benzothiazol-6-amine
CID 103411788
2-(3,3,3-trifluoropropylsulfinyl)-1,3-benzothiazol-6-amine
CID 64567997
N-(6-amino-1,3-benzothiazol-2-yl)-2-[butan-2-yl(methyl)amino]propanamide
CID 43272521

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide (CID 61369390) is 2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)S(=O)c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide?
The InChIKey is OHSOAGHRWKHXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-7(11(16)15(2)3)19(17)12-14-9-5-4-8(13)6-10(9)18-12/h4-7H,13H2,1-3H3.
What are the key properties of 2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide?
2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide has a molecular weight of 297.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 61369390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).