N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide

C13H16N2O3S — CID 103601969

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C13H16N2O3S/c1-17-6-7-18-9-12(16)14-8-13-15-10-4-2-3-5-11(10)19-13/h2-5H,6-9H2,1H3,(H,14,16)
InChIKeyBOGGLYMAUFDGSP-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.58
Rot. Bonds7

About N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103601969) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
PubChem CID103601969
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C13H16N2O3S/c1-17-6-7-18-9-12(16)14-8-13-15-10-4-2-3-5-11(10)19-13/h2-5H,6-9H2,1H3,(H,14,16)
InChIKeyBOGGLYMAUFDGSP-UHFFFAOYSA-N
XLogP1.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
3-(1,3-benzothiazol-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 24542870
N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 31101407
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
N-(1,3-benzothiazol-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
CID 31848340
3-(1,3-benzothiazol-2-ylmethyl)-1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methylurea
CID 95133735
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
CID 61248575

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide (CID 103601969) is N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is BOGGLYMAUFDGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-6-7-18-9-12(16)14-8-13-15-10-4-2-3-5-11(10)19-13/h2-5H,6-9H2,1H3,(H,14,16).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 280.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103601969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).