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

C11H12N2O2S2 — CID 107020679

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
SMILESCOc1ccc2nc(NC(=O)C(C)S)sc2c1
InChIInChI=1S/C11H12N2O2S2/c1-6(16)10(14)13-11-12-8-4-3-7(15-2)5-9(8)17-11/h3-6,16H,1-2H3,(H,12,13,14)
InChIKeyGNRMNTWFDIPRHL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.56
Rot. Bonds3

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide (PubChem CID 107020679) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
PubChem CID107020679
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
SMILESCOc1ccc2nc(NC(=O)C(C)S)sc2c1
InChIInChI=1S/C11H12N2O2S2/c1-6(16)10(14)13-11-12-8-4-3-7(15-2)5-9(8)17-11/h3-6,16H,1-2H3,(H,12,13,14)
InChIKeyGNRMNTWFDIPRHL-UHFFFAOYSA-N
XLogP2.56
TPSA51.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496132
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256
(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
CID 61173509
2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propanamide
CID 43328820
2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl-methylamino]propanoic acid
CID 62638641
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 845796
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)hexanamide
CID 4036340

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide (CID 107020679) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide is COc1ccc2nc(NC(=O)C(C)S)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide?
The InChIKey is GNRMNTWFDIPRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-6(16)10(14)13-11-12-8-4-3-7(15-2)5-9(8)17-11/h3-6,16H,1-2H3,(H,12,13,14).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107020679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).