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

C15H21N3O2S — CID 102980709

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide
SMILESCCCC(C)OC(C)C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C15H21N3O2S/c1-4-5-9(2)20-10(3)14(19)18-15-17-12-7-6-11(16)8-13(12)21-15/h6-10H,4-5,16H2,1-3H3,(H,17,18,19)
InChIKeyIGVWPOCZXAQVIB-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.41
Rot. Bonds6

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

N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide (PubChem CID 102980709) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide
PubChem CID102980709
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide
SMILESCCCC(C)OC(C)C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C15H21N3O2S/c1-4-5-9(2)20-10(3)14(19)18-15-17-12-7-6-11(16)8-13(12)21-15/h6-10H,4-5,16H2,1-3H3,(H,17,18,19)
InChIKeyIGVWPOCZXAQVIB-UHFFFAOYSA-N
XLogP3.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.41
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-methylsulfanylpropanamide
CID 54907894
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-(oxetan-3-yloxy)propanamide
CID 102605522
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-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960374
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 3-aminobenzoate
CID 23744805
(2S)-2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)pentanamide
CID 940073
N-(6-amino-1,3-benzothiazol-2-yl)-2-[methyl(propyl)amino]acetamide
CID 43270858

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide (CID 102980709) is N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide is CCCC(C)OC(C)C(=O)Nc1nc2ccc(N)cc2s1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide?
The InChIKey is IGVWPOCZXAQVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-5-9(2)20-10(3)14(19)18-15-17-12-7-6-11(16)8-13(12)21-15/h6-10H,4-5,16H2,1-3H3,(H,17,18,19).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide has a molecular weight of 307.42 g/mol, XLogP of 3.41, 6 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-pentan-2-yloxypropanamide is sourced from PubChem (CID 102980709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).