N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide

C17H16N2O2S — CID 4064574

IUPACN-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
SMILESCCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2ccccc21
InChIInChI=1S/C17H16N2O2S/c1-3-19-14-6-4-5-7-15(14)22-17(19)18-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3/b18-17-
InChIKeyOHMNCRAYWDRIHW-ZCXUNETKSA-N
MW312.39 g/mol
LogP3.47
Rot. Bonds3

About N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide

N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide (PubChem CID 4064574) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
PubChem CID4064574
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
SMILESCCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2ccccc21
InChIInChI=1S/C17H16N2O2S/c1-3-19-14-6-4-5-7-15(14)22-17(19)18-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3/b18-17-
InChIKeyOHMNCRAYWDRIHW-ZCXUNETKSA-N
XLogP3.47
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-ethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 4638674
4-methoxy-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3681659
ethyl 3-[2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8611682
2-[2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]butanoic acid
CID 89461845
methyl 2-[2-(4-butoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4074191
methyl 3-[2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8611880
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dimethoxybenzamide
CID 5100755
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide
CID 3572098
4-(benzenesulfonamido)-N-(3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043683
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 2104856
4-(dimethylsulfamoyl)-N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 2152640

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
The IUPAC name of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide (CID 4064574) is N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide.
What is the SMILES notation for N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
The canonical SMILES for N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide is CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2ccccc21.
What is the InChIKey of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
The InChIKey is OHMNCRAYWDRIHW-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-3-19-14-6-4-5-7-15(14)22-17(19)18-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3/b18-17-.
What are the key properties of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide has a molecular weight of 312.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide is sourced from PubChem (CID 4064574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).