N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide

C11H13N3OS2 — CID 54907894

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C11H13N3OS2/c1-6(16-2)10(15)14-11-13-8-4-3-7(12)5-9(8)17-11/h3-6H,12H2,1-2H3,(H,13,14,15)
InChIKeyNDYBYHBTXNOFLH-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.57
Rot. Bonds3

About N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide

N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide (PubChem CID 54907894) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide
PubChem CID54907894
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C11H13N3OS2/c1-6(16-2)10(15)14-11-13-8-4-3-7(12)5-9(8)17-11/h3-6H,12H2,1-2H3,(H,13,14,15)
InChIKeyNDYBYHBTXNOFLH-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749094
N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfonylpropanamide
CID 61024285
N-(6-amino-1,3-benzothiazol-2-yl)-2-[butan-2-yl(methyl)amino]propanamide
CID 43272521
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960374
N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide
CID 102980709
N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide
CID 102605522
N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide
CID 60873659
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpropylsulfanyl)propanamide
CID 43125824
1-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylurea
CID 28785701
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide (CID 54907894) is N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1nc2ccc(N)cc2s1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide?
The InChIKey is NDYBYHBTXNOFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-6(16-2)10(15)14-11-13-8-4-3-7(12)5-9(8)17-11/h3-6H,12H2,1-2H3,(H,13,14,15).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide has a molecular weight of 267.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 54907894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).