2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide

C11H13N3O2S — CID 81081342

IUPAC2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H13N3O2S/c1-16-6-7(12)10(15)14-11-13-8-4-2-3-5-9(8)17-11/h2-5,7H,6,12H2,1H3,(H,13,14,15)
InChIKeyQPSJFDIQFLTKJI-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.21
Rot. Bonds4

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

2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide (PubChem CID 81081342) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
PubChem CID81081342
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H13N3O2S/c1-16-6-7(12)10(15)14-11-13-8-4-2-3-5-9(8)17-11/h2-5,7H,6,12H2,1H3,(H,13,14,15)
InChIKeyQPSJFDIQFLTKJI-UHFFFAOYSA-N
XLogP1.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(1,3-benzothiazol-2-yl)-3-methylbutanamide;hydrochloride
CID 119262464
(2R)-2-amino-N-(1,3-benzothiazol-2-yl)-4-methylsulfanylbutanamide
CID 104906860
2-(1,3-benzothiazol-2-ylcarbamoyloxy)ethyl N-(1,3-benzothiazol-2-yl)carbamate;hydrochloride
CID 54599741
N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver
CID 87950103
3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 24699724
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120986644
methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 120987195
[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 2933835
N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 57299473
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
(2S)-N-(1,3-benzothiazol-2-yl)-2-(carbamoylamino)-3-methylbutanamide
CID 8928085

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide (CID 81081342) is 2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide is COCC(N)C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide?
The InChIKey is QPSJFDIQFLTKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-16-6-7(12)10(15)14-11-13-8-4-2-3-5-9(8)17-11/h2-5,7H,6,12H2,1H3,(H,13,14,15).
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide?
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide has a molecular weight of 251.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide is sourced from PubChem (CID 81081342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).