N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide

C15H20N2O2S — CID 3606864

IUPACN-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide
SMILESCCCCC(=O)/N=c1\sc2ccccc2n1CCOC
InChIInChI=1S/C15H20N2O2S/c1-3-4-9-14(18)16-15-17(10-11-19-2)12-7-5-6-8-13(12)20-15/h5-8H,3-4,9-11H2,1-2H3/b16-15-
InChIKeyBROYRQBVVVXVMU-NXVVXOECSA-N
MW292.40 g/mol
LogP2.97
Rot. Bonds6

About N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide

N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide (PubChem CID 3606864) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide
PubChem CID3606864
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide
SMILESCCCCC(=O)/N=c1\sc2ccccc2n1CCOC
InChIInChI=1S/C15H20N2O2S/c1-3-4-9-14(18)16-15-17(10-11-19-2)12-7-5-6-8-13(12)20-15/h5-8H,3-4,9-11H2,1-2H3/b16-15-
InChIKeyBROYRQBVVVXVMU-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

Analyze N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
CID 3511357
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonylbutanamide
CID 41087239
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 25407221
4-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
CID 25407415
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 25318042
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525068
2-(3,4-dimethoxyphenyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 16912805
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanylbutanamide
CID 25406356
4-methoxy-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3681659
1-(3-butyl-1,3-benzothiazol-2-ylidene)-3-methoxyurea
CID 54382119
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide
CID 4227838
4-[butyl(methyl)sulfamoyl]-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3349276

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide?
The IUPAC name of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide (CID 3606864) is N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide is CCCCC(=O)/N=c1\sc2ccccc2n1CCOC.
What is the InChIKey of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide?
The InChIKey is BROYRQBVVVXVMU-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-4-9-14(18)16-15-17(10-11-19-2)12-7-5-6-8-13(12)20-15/h5-8H,3-4,9-11H2,1-2H3/b16-15-.
What are the key properties of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide?
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide 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-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide is sourced from PubChem (CID 3606864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).