N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide

C15H20N2O2S — CID 3511357

IUPACN-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
SMILESCCCC(=O)/N=c1\sc2ccccc2n1CCOCC
InChIInChI=1S/C15H20N2O2S/c1-3-7-14(18)16-15-17(10-11-19-4-2)12-8-5-6-9-13(12)20-15/h5-6,8-9H,3-4,7,10-11H2,1-2H3/b16-15-
InChIKeySDJNLJCHHNGIJL-NXVVXOECSA-N
MW292.40 g/mol
LogP2.97
Rot. Bonds6

About N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide

N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide (PubChem CID 3511357) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
PubChem CID3511357
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
SMILESCCCC(=O)/N=c1\sc2ccccc2n1CCOCC
InChIInChI=1S/C15H20N2O2S/c1-3-7-14(18)16-15-17(10-11-19-4-2)12-8-5-6-9-13(12)20-15/h5-6,8-9H,3-4,7,10-11H2,1-2H3/b16-15-
InChIKeySDJNLJCHHNGIJL-NXVVXOECSA-N
XLogP2.97
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide
CID 3606864
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanylbutanamide
CID 25406356
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]naphthalene-1-carboxamide
CID 4577895
N-[3-(2-ethoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]butanamide
CID 5054221
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
CID 4690203
2-(2,4-dichlorophenoxy)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 3437777
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dimethoxybenzamide
CID 5100755
2,5-dichloro-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide
CID 4103243
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide
CID 7523844
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 4608479
ethyl 3-[2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate
CID 8611914
N-[3-(2-ethoxyethyl)-6-fluoro-1,3-benzothiazol-2-ylidene]-2-phenylacetamide
CID 4109963

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide?
The IUPAC name of N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide (CID 3511357) is N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide.
What is the SMILES notation for N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide?
The canonical SMILES for N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide is CCCC(=O)/N=c1\sc2ccccc2n1CCOCC.
What is the InChIKey of N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide?
The InChIKey is SDJNLJCHHNGIJL-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-7-14(18)16-15-17(10-11-19-4-2)12-8-5-6-9-13(12)20-15/h5-6,8-9H,3-4,7,10-11H2,1-2H3/b16-15-.
What are the key properties of N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide?
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide has a molecular weight of 292.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide is sourced from PubChem (CID 3511357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).