N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide

C11H12N2O2S — CID 646635

IUPACN-(5-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2cc(OC)ccc2s1
InChIInChI=1S/C11H12N2O2S/c1-3-10(14)13-11-12-8-6-7(15-2)4-5-9(8)16-11/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyFOOGTHLATJHJFF-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.65
Rot. Bonds3

About N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide

N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 646635) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID646635
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(5-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2cc(OC)ccc2s1
InChIInChI=1S/C11H12N2O2S/c1-3-10(14)13-11-12-8-6-7(15-2)4-5-9(8)16-11/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyFOOGTHLATJHJFF-UHFFFAOYSA-N
XLogP2.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 646635) is N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide is CCC(=O)Nc1nc2cc(OC)ccc2s1.
What is the InChIKey of N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is FOOGTHLATJHJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-10(14)13-11-12-8-6-7(15-2)4-5-9(8)16-11/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide?
N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 236.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 646635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).