N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide

C13H18N4O2S — CID 60960374

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1nc2ccc(N)cc2s1)N(C)CCO
InChIInChI=1S/C13H18N4O2S/c1-8(17(2)5-6-18)12(19)16-13-15-10-4-3-9(14)7-11(10)20-13/h3-4,7-8,18H,5-6,14H2,1-2H3,(H,15,16,19)
InChIKeyZNHAWJFEMMIYDH-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.13
Rot. Bonds5

About N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide

N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide (PubChem CID 60960374) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide
PubChem CID60960374
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1nc2ccc(N)cc2s1)N(C)CCO
InChIInChI=1S/C13H18N4O2S/c1-8(17(2)5-6-18)12(19)16-13-15-10-4-3-9(14)7-11(10)20-13/h3-4,7-8,18H,5-6,14H2,1-2H3,(H,15,16,19)
InChIKeyZNHAWJFEMMIYDH-UHFFFAOYSA-N
XLogP1.13
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[butan-2-yl(methyl)amino]propanamide
CID 43272521
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972
N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide
CID 54907894
N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfonylpropanamide
CID 61024285
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749094
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide
CID 63693372
N-(6-amino-1,3-benzothiazol-2-yl)-2-[methyl(propyl)amino]acetamide
CID 43270858
N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide
CID 102980709
3-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83116702
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-(oxetan-3-yloxy)propanamide
CID 102605522

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide (CID 60960374) is N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide is CC(C(=O)Nc1nc2ccc(N)cc2s1)N(C)CCO.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The InChIKey is ZNHAWJFEMMIYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8(17(2)5-6-18)12(19)16-13-15-10-4-3-9(14)7-11(10)20-13/h3-4,7-8,18H,5-6,14H2,1-2H3,(H,15,16,19).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide has a molecular weight of 294.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide is sourced from PubChem (CID 60960374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).