N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide

C12H14N2O2S — CID 60657144

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C12H14N2O2S/c1-2-16-8-11(15)13-7-12-14-9-5-3-4-6-10(9)17-12/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKeyANODWVJWFZVHKC-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.95
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide (PubChem CID 60657144) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
PubChem CID60657144
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C12H14N2O2S/c1-2-16-8-11(15)13-7-12-14-9-5-3-4-6-10(9)17-12/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKeyANODWVJWFZVHKC-UHFFFAOYSA-N
XLogP1.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
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
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
N-(1,3-benzothiazol-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
CID 31848340
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
CID 61248575
N-(1,3-benzothiazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
CID 24543254
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide
CID 18110682
N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 31101407
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide (CID 60657144) is N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide is CCOCC(=O)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide?
The InChIKey is ANODWVJWFZVHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-16-8-11(15)13-7-12-14-9-5-3-4-6-10(9)17-12/h3-6H,2,7-8H2,1H3,(H,13,15).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide has a molecular weight of 250.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide is sourced from PubChem (CID 60657144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).