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

C12H15N3O2S — CID 54924268

IUPAC3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCOc1ccc2nc(NC(=O)CC(C)N)sc2c1
InChIInChI=1S/C12H15N3O2S/c1-7(13)5-11(16)15-12-14-9-4-3-8(17-2)6-10(9)18-12/h3-4,6-7H,5,13H2,1-2H3,(H,14,15,16)
InChIKeyOMOVVBYFDGZBGA-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.98
Rot. Bonds4

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

3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide (PubChem CID 54924268) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
PubChem CID54924268
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCOc1ccc2nc(NC(=O)CC(C)N)sc2c1
InChIInChI=1S/C12H15N3O2S/c1-7(13)5-11(16)15-12-14-9-4-3-8(17-2)6-10(9)18-12/h3-4,6-7H,5,13H2,1-2H3,(H,14,15,16)
InChIKeyOMOVVBYFDGZBGA-UHFFFAOYSA-N
XLogP1.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
(2S)-2-amino-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylpropanamide
CID 134235960
(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
CID 61173509
(2S)-2-[[(1S)-1-carboxy-3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]amino]-4-methylpentanoic acid
CID 58632921
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669352
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120558679
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide (CID 54924268) is 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide is COc1ccc2nc(NC(=O)CC(C)N)sc2c1.
What is the InChIKey of 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is OMOVVBYFDGZBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7(13)5-11(16)15-12-14-9-4-3-8(17-2)6-10(9)18-12/h3-4,6-7H,5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 265.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 54924268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).