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

C10H11N3O2S — CID 43164972

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
SMILESCC(O)C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C10H11N3O2S/c1-5(14)9(15)13-10-12-7-3-2-6(11)4-8(7)16-10/h2-5,14H,11H2,1H3,(H,12,13,15)
InChIKeyLLBBVLXURLPNJG-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.20
Rot. Bonds2

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

N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide (PubChem CID 43164972) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
PubChem CID43164972
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
SMILESCC(O)C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C10H11N3O2S/c1-5(14)9(15)13-10-12-7-3-2-6(11)4-8(7)16-10/h2-5,14H,11H2,1H3,(H,12,13,15)
InChIKeyLLBBVLXURLPNJG-UHFFFAOYSA-N
XLogP1.20
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.20
H-Bond Donors ≤ 53
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-methylsulfanylpropanamide
CID 54907894
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-(3-methylbutylsulfanyl)propanamide
CID 107749094
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
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
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpropylsulfanyl)propanamide
CID 43125824

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide (CID 43164972) is N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide is CC(O)C(=O)Nc1nc2ccc(N)cc2s1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide?
The InChIKey is LLBBVLXURLPNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-5(14)9(15)13-10-12-7-3-2-6(11)4-8(7)16-10/h2-5,14H,11H2,1H3,(H,12,13,15).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide has a molecular weight of 237.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 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-hydroxypropanamide is sourced from PubChem (CID 43164972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).